data_1a6s_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 1a6s _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.644 ' O ' ' N ' ' A' ' 7' ' ' VAL . . . -84.89 -40.89 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.994 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -40.56 -34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.198 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.35 -55.36 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER -52.39 -42.06 63.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.845 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -60.32 -64.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.735 ' N ' HG11 ' A' ' 7' ' ' VAL . 4.2 tp -44.36 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.683 ' N ' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.61 -65.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 1.024 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -59.16 -53.14 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.269 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -44.14 -54.8 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.552 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 45.0 t -40.3 -58.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.653 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -93.72 -57.1 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 1.024 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.5 m -49.76 -30.87 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.269 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -69.7 -76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.76 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.2 t -111.4 47.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -164.76 -18.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 36.1 tt0 -47.98 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mt -54.48 -33.37 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.76 -82.01 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.873 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -50.54 -46.48 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.574 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -40.02 -47.4 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.839 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -95.01 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.946 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.5 m -55.82 -42.35 75.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.873 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.22 -62.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.696 ' CD1' HG13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.38 -47.74 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.1 tt0 -68.88 3.01 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.946 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.7 ttmt -136.34 21.91 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.697 ' CB ' HG12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -136.96 8.55 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 96.8 27.15 9.83 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' CD2' HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -121.48 50.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -91.06 17.14 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.3 tpp -91.61 10.21 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 40' ' ' MET . 1.2 p 94.1 177.75 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.624 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 18.41 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.73 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 1.2 m -68.88 -23.21 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.2 OUTLIER -39.18 -40.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.994 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 1.2 tt -61.61 -33.39 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.804 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 15.8 m-30 -56.12 -4.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 45' ' ' LEU . 13.7 t -127.69 137.23 30.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.88 11.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.63 46.05 86.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -96.57 15.21 22.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.98 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.715 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 28.9 m95 -95.85 -3.46 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.924 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.18 -23.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.924 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.99 -34.47 3.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.72 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -77.23 -18.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.661 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -72.59 -53.52 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -12.85 61.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.667 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -66.93 -71.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.769 ' CD1' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -52.37 -36.63 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.758 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.83 -36.99 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -21.2 63.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -164.41 66.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.707 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -51.79 -46.08 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 2.0 m -58.71 -46.0 88.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.769 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 3.6 t90 -59.27 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.94 -49.42 2.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.09 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.76 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -65.07 -41.1 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.799 ' CG1' ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -69.53 -56.83 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.719 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -31.27 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.869 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.33 -47.46 64.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.625 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 2.0 tp -51.62 -43.51 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.596 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.14 -24.29 64.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 86' ' ' GLU . . . -70.11 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.58 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.88 -44.99 91.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.41 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -77.63 -23.6 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.412 ' O ' HD11 ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.39 -39.77 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.977 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.75 -29.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.166 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.42 -67.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 10' ' ' SER . 86.1 tttt -49.31 -21.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.888 ' O ' ' N ' ' A' ' 11' ' ' ALA . 12.3 p -67.64 -70.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.774 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 5.5 tp -45.95 -48.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.626 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 77.3 p -60.77 -61.61 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.857 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -68.43 -52.58 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.366 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.61 -20.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -73.25 -63.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -97.02 -41.41 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.857 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -64.54 -29.28 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.366 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -60.61 -70.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -96.7 -47.65 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.334 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -62.16 -15.56 50.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.531 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -47.22 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' MET . 3.3 mt -51.38 -33.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.69 -60.84 5.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.898 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -50.18 -53.52 27.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.626 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -37.38 -43.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.837 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -95.23 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.987 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 69.1 m -52.72 -34.72 53.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.898 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -68.19 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.774 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.79 -45.02 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.837 ' N ' ' O ' ' A' ' 30' ' ' LEU . 10.3 tt0 -70.57 0.87 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.987 ' CB ' ' O ' ' A' ' 31' ' ' SER . 4.9 ttmm -139.39 26.14 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.765 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 4.8 mm-40 -140.08 7.7 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.504 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 95.62 27.4 10.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.603 ' CD2' HD11 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -123.2 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -94.45 24.65 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.09 4.17 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.1 p 99.81 174.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.629 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 17.46 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.867 ' HA ' HG23 ' A' ' 4' ' ' VAL . 4.4 t -67.86 -25.28 65.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' SER . 5.3 t70 -33.55 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.977 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -71.58 -35.91 70.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.832 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 m-30 -54.7 -10.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' LEU . 19.1 t -138.14 129.87 15.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.14 17.38 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.38 56.69 4.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -123.24 11.94 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.884 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 11.3 m95 -95.4 -2.1 49.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.919 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.12 -20.95 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.919 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.0 -35.44 3.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.643 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -75.79 -26.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 78' ' ' LEU . 1.1 m -67.05 -52.59 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.84 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.765 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -64.67 -75.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.46 -35.72 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.801 ' N ' HD23 ' A' ' 58' ' ' LEU . 3.1 t -62.91 -37.88 88.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.87 -24.91 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.736 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.642 HD12 ' CB ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -40.44 -41.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.531 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.73 -48.61 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.894 ' O ' HG11 ' A' ' 77' ' ' VAL . 2.0 t90 -62.86 -33.34 75.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.11 -52.78 25.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -66.64 -41.05 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.894 HG11 ' O ' ' A' ' 74' ' ' TRP . 0.6 OUTLIER -65.51 -57.26 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.655 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.71 -58.09 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.81 -30.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.798 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.54 -47.95 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.743 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.8 tm? -52.52 -44.72 65.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.589 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.36 -23.41 63.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.8 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.616 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.45 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -20.14 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -13.54 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.472 ' O ' HD11 ' A' ' 5' ' ' ILE . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.745 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -85.45 -37.63 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.015 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.19 -27.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.033 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.17 -66.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -50.57 -20.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.866 ' O ' ' N ' ' A' ' 11' ' ' ALA . 9.5 p -65.99 -70.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.67 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -42.45 -45.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.22 -64.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.762 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -65.09 -49.41 70.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.263 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.48 -20.62 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 9' ' ' SER . 7.5 t -73.93 -60.57 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -92.5 -50.28 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.762 ' N ' ' O ' ' A' ' 10' ' ' SER . 91.4 m -56.35 -30.38 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.263 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -69.58 -70.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.669 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -105.21 46.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.557 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -166.62 -27.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' GLY . 1.1 mptm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.7 tt0 -46.58 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.8 mp -53.17 -32.2 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -52.1 -67.46 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.866 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -47.96 -47.43 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.611 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -41.7 -53.25 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.752 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 1.1 tp -86.5 -53.77 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.167 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -63.66 -54.13 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.89 ' HG ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -47.74 -56.92 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.92 -57.93 3.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.752 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tm0? -71.69 11.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.2 tmtt? -138.55 20.52 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 46.3 mt-10 -136.37 5.87 3.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.62 27.44 73.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -137.79 43.93 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB2' ' C ' ' A' ' 33' ' ' LEU . 3.3 tm? -112.84 133.42 54.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.518 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.9 ttt -144.58 -26.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.1 OUTLIER 158.08 162.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.675 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 19.67 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' HG23 ' A' ' 4' ' ' VAL . 3.6 m -73.57 -18.35 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.508 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 5.6 t70 -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.015 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -79.14 -33.65 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.828 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 14.2 m-30 -56.87 -12.93 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.6 t -146.51 125.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.17 17.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.76 51.65 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.666 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.85 15.73 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.858 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 26.2 m95 -96.71 -1.15 47.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.945 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t70 -77.65 -19.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.945 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -74.99 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.699 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.37 -20.75 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.637 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 1.3 m -66.02 -49.64 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.53 -13.98 60.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -65.31 -72.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.729 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -51.93 -38.54 56.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.702 ' N ' HD23 ' A' ' 58' ' ' LEU . 4.7 t -58.58 -36.88 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.94 -23.8 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.12 66.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.64 ' CD1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.04 -45.81 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.553 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.89 -46.37 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.704 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 1.3 t90 -60.57 -45.83 92.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.69 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -40.75 -49.54 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.544 ' CD2' ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -63.53 -42.17 98.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.89 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.83 -57.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.739 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.83 -58.8 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.46 -27.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.889 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -67.71 -52.58 35.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 2.8 tp -50.28 -43.72 53.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.78 -25.3 62.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.59 76.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -62.86 -47.33 83.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -73.17 -19.24 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.55 -21.98 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.738 ' HA ' ' HB3' ' A' ' 6' ' ' LYS . . . -61.89 -44.06 97.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.808 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -43.71 -53.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.039 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.49 -39.07 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 3' ' ' ALA . 4.3 ttmm -52.05 -41.12 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -71.08 -64.89 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.736 HG21 ' O ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -41.35 -45.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.623 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.0 t -66.06 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -64.24 -46.38 84.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.299 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.34 -24.72 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 47.4 t -73.5 -58.14 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.784 ' O ' ' N ' ' A' ' 18' ' ' LYS . 4.9 ttpm? -93.89 -53.33 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.832 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.6 m -54.52 -29.89 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.299 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -68.7 -74.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.681 ' N ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.04 -47.3 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -55.07 -18.33 12.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.784 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.0 tttt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.588 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 5.7 mp0 -73.13 -76.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.5 mm -49.47 -39.56 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.13 -42.2 61.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.852 ' CA ' ' HB2' ' A' ' 32' ' ' LEU . . . -56.24 -53.83 52.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -37.01 -45.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.822 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -85.16 -71.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.015 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -55.56 -47.88 75.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.852 ' HB2' ' CA ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -51.66 -59.34 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.723 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.78 -52.28 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 30' ' ' LEU . 27.9 mt-30 -67.86 4.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.015 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.0 tptt -138.97 23.65 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.674 ' HG3' ' CB ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -141.56 7.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.48 41.89 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.553 ' CD1' ' OE2' ' A' ' 36' ' ' GLU . 4.7 mp -141.43 46.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 34' ' ' GLN . 2.6 tp -112.33 12.58 20.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.65 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -102.09 1.95 36.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.9 m 145.93 120.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -74.99 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.808 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.77 -12.95 61.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' OG ' ' A' ' 50' ' ' SER . 19.1 t70 -37.17 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.767 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -55.51 -35.38 65.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.718 ' N ' HD21 ' A' ' 45' ' ' LEU . 3.6 m-30 -55.05 -12.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -95.98 147.44 32.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 107.92 2.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 87.48 69.0 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.794 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -100.27 -4.95 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.639 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 75.2 m95 -93.85 -26.75 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.818 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -71.16 -32.09 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.6 Cg_endo -74.97 -27.95 9.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.78 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.97 -18.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -73.75 -55.92 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -75.67 -27.38 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.597 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . . . -58.99 -61.6 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.954 ' CD1' ' HB2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -59.86 -44.53 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -55.68 -38.85 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -68.01 -21.56 65.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -114.35 -75.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.558 ' HG ' ' CB ' ' A' ' 74' ' ' TRP . 1.5 tp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -56.5 -50.28 72.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.461 ' C ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.82 -43.26 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.954 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 33.8 t90 -51.81 -36.92 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -57.55 -49.2 75.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 3.8 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.823 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.97 -53.92 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.786 ' CD2' HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.78 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -35.4 -30.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . . . -68.11 -50.82 52.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.714 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 12.2 tp -52.62 -41.73 63.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 1.6 mptp? -68.75 -24.32 64.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.63 76.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.576 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.43 -50.86 65.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -20.02 66.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -85.36 -58.26 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.745 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.73 -35.04 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.753 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.76 -53.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.036 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.71 -44.69 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.745 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.5 mmtp -46.03 -39.53 9.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -73.83 -65.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.709 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 4.2 tp -43.34 -40.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.672 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.1 -64.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.64 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -22.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 9' ' ' SER . 1.3 t -72.2 -65.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.1 -43.24 8.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.9 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.23 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -104.83 46.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -163.98 -29.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE1' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.12 -88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.502 ' CD1' ' OE1' ' A' ' 25' ' ' GLU . 44.1 mt -53.55 -32.55 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.64 -77.58 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.941 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.67 -45.19 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.672 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -41.59 -53.07 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -55.28 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.019 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.01 -47.73 82.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.941 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.21 -64.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.665 HD11 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.03 -55.58 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.92 4.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.019 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.3 tmtt? -140.82 27.6 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 17.0 mt-10 -144.83 8.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 106.3 32.98 3.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 mm? -131.54 49.58 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.28 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.701 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.31 22.35 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.701 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.79 143.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.96 -3.05 13.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.75 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.92 -18.18 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.7 t70 -33.76 -39.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.753 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -50.18 -32.5 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.75 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.0 m-30 -55.84 -4.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.18 149.41 41.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.02 118.79 5.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.13 49.0 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.57 -0.3 52.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.663 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 52.8 m95 -97.33 -7.86 31.0 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.21 -26.4 0.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.97 -34.6 3.73 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.692 ' O ' ' OE2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -79.34 -24.76 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.643 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 1.3 m -65.59 -56.36 12.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.97 -12.54 60.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.96 -76.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.762 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -54.04 -37.85 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.562 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.8 mm-40 -71.36 -18.1 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.01 61.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.735 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.631 ' CD1' ' HA ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.47 -45.26 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -42.17 77.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.699 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 4.8 t90 -57.22 -48.75 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.55 -51.42 2.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.2 -37.89 86.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.889 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.63 -56.9 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.652 ' CB ' ' CE2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -73.72 -59.16 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -32.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.859 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.53 -50.27 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -51.84 -44.08 63.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.532 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.62 -23.02 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.71 70.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.01 -48.83 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.21 65.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.8 -32.85 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.449 ' C ' HD11 ' A' ' 5' ' ' ILE . 7.1 tp10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -88.19 -46.33 9.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.945 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.99 -28.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.136 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.56 -70.31 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.44 -22.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.893 ' O ' ' N ' ' A' ' 11' ' ' ALA . 13.9 p -65.79 -71.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.79 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 3.1 tp -44.42 -44.1 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.624 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.66 -64.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.37 -48.37 67.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.307 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.04 -23.27 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 9' ' ' SER . 19.4 t -71.82 -63.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.594 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -97.07 -44.0 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.307 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.26 -73.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.7 t -108.12 46.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.594 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.9 -26.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.535 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 68.8 176.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.79 -32.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.99 -57.91 7.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.908 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -52.45 -50.29 62.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.626 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -39.76 -44.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.854 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.36 -65.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.004 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 24.9 m -52.16 -34.62 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.908 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -71.11 -66.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.79 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.59 -47.25 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.854 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.12 0.4 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.004 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.75 27.9 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.11 7.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 101.34 34.06 4.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 1.7 mm? -133.13 49.49 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.95 11.58 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.01 177.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.61 ' HD2' ' OG ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.0 17.67 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.824 ' HA ' HG23 ' A' ' 4' ' ' VAL . 8.0 t -68.47 -23.31 64.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.19 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.945 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.64 -34.62 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CD1' HG22 ' A' ' 4' ' ' VAL . 11.4 m-30 -55.13 -12.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -134.59 128.81 19.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.19 23.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 58.09 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.651 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.46 14.16 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.732 . . . . 0.0 109.968 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.833 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 21.4 m95 -97.24 -0.76 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.29 -19.74 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.672 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.29 -18.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.629 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.56 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.87 -13.06 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.33 -71.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.912 ' CD1' ' CD1' ' A' ' 74' ' ' TRP . 1.4 mp -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -34.54 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.65 71.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 12.7 mtt-85 -154.43 66.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.706 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.77 -44.96 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.415 ' O ' HG21 ' A' ' 77' ' ' VAL . 1.1 m -58.71 -43.44 90.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.912 ' CD1' ' CD1' ' A' ' 58' ' ' LEU . 22.7 t90 -56.32 -39.26 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.29 -46.67 57.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.24 -44.9 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.77 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.24 -57.62 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.641 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.29 -60.06 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.897 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.57 -47.68 59.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.2 tp -51.67 -44.29 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.594 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.79 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.573 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.33 -48.8 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -20.97 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.61 -46.91 12.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -66.17 -40.23 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.795 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.36 -50.34 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.086 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.73 -43.32 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.37 -37.43 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.773 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -67.28 -59.76 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.71 HD12 ' CZ2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -51.7 -41.21 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.716 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.08 -67.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.22 -49.35 74.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.996 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.62 -60.36 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 11' ' ' ALA . 36.3 t -32.19 -50.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -50.2 -37.32 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.996 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -58.85 -73.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.803 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.7 t -108.21 46.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.53 -24.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -72.17 -93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.459 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.8 mt -50.51 -33.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.59 -55.12 18.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.872 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -51.59 -56.01 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.716 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -35.03 -40.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.821 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.25 -74.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.65 -30.81 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.872 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD11 ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -74.67 -48.35 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.37 2.33 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.8 26.43 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.757 ' HE2' ' N ' ' A' ' 58' ' ' LEU . 9.0 mm-40 -140.45 5.67 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 35.88 2.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.655 ' CD2' HD11 ' A' ' 33' ' ' LEU . 4.6 mp -141.75 43.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.81 9.19 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.11 11.7 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.68 105.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.699 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 -8.12 19.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.791 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.25 -10.56 55.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.12 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.795 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -52.13 -36.03 50.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.745 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 6.4 m-30 -61.67 -7.7 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.0 t -118.72 144.4 35.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.39 64.35 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.61 -18.12 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.71 ' CZ2' HD12 ' A' ' 8' ' ' ILE . 87.0 m95 -96.46 -22.79 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.868 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.69 -28.59 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.868 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.95 -31.86 5.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.696 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -76.67 -24.83 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.568 ' OG1' HD22 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.02 -56.27 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.14 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 36' ' ' GLU . . . -63.07 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.49 -38.37 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.954 ' N ' HD23 ' A' ' 58' ' ' LEU . 5.7 t -59.45 -36.08 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.65 -21.71 64.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.35 70.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.689 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -66.2 -45.81 79.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 24' ' ' LYS . 1.3 p -59.81 -46.52 88.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.894 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 68.3 t90 -57.42 -27.35 62.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 107.978 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.62 -61.16 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.803 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.2 tt -60.95 -44.08 97.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.871 HG13 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.14 -58.31 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.894 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.64 -59.26 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.12 -31.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.117 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.837 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.69 -48.17 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.723 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 3.6 tp -52.73 -44.1 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.54 ' CE ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.2 -24.02 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.26 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.591 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.46 -49.68 70.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -16.1 62.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.25 -43.97 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.712 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.71 ' O ' ' HB ' ' A' ' 7' ' ' VAL . . . -68.77 -44.38 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.819 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.082 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.095 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 -47.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.712 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.43 -34.44 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.76 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.854 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 4.4 mt -49.63 -40.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.788 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.93 -68.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.65 -51.36 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.185 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.21 -53.82 25.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 35.7 t -36.87 -55.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.79 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.38 -31.17 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.185 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -71.43 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.856 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.87 47.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 108.27 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.13 -14.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.45 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.16 -37.63 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.88 -77.14 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.0 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -47.14 -40.02 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.788 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.45 -54.03 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.11 -50.48 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.213 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.4 m -58.49 -30.67 67.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.0 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.76 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.854 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 3.2 mm? -70.15 -47.43 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.35 5.86 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.213 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.86 31.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.66 -4.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' C ' HD11 ' A' ' 38' ' ' LEU . . . 118.69 28.26 2.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 5.0 mp -131.91 43.13 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.34 13.14 27.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.625 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.41 8.19 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.8 p 148.55 110.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 -6.59 18.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.755 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.27 -12.84 61.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.7 t0 -35.62 -35.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.819 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -51.05 -34.26 29.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.693 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.5 m-30 -56.92 -12.85 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -100.67 144.93 29.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.53 58.62 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.24 0.73 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.685 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 78.6 m95 -98.67 -16.95 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.37 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -75.0 -39.03 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.438 1.757 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.834 ' CG1' ' HG2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.33 -21.28 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.24 -59.54 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . -80.23 -14.9 58.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -54.09 -68.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.693 ' O ' ' N ' ' A' ' 62' ' ' ALA . 3.0 mp -64.56 -43.91 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.05 61.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.75 -32.57 67.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.88 63.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TRP . 1.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.81 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.49 -44.18 89.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.681 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 32.7 t90 -53.65 -31.24 46.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.726 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.22 -50.47 67.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.856 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.47 -44.7 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.681 ' CG2' ' HA ' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.29 -59.59 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.63 ' CD1' ' CE ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -66.54 -58.21 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.79 -31.04 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.831 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -71.58 -48.36 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.642 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.8 tp -52.68 -44.16 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.9 -23.39 63.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.56 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.47 -50.02 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.64 66.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.72 -34.75 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.449 ' O ' HD11 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.75 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.65 -37.57 17.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.015 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.62 -28.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.093 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.46 -66.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.86 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 4' ' ' VAL . 7.2 p -66.26 -73.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.73 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.85 -39.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.92 -70.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -54.65 -45.03 73.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.95 -57.75 8.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.554 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 29.0 t -33.65 -51.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.88 -64.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.1 m -46.98 -33.65 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.32 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.608 ' N ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.46 -50.48 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.266 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -60.36 -12.85 26.78 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.567 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.11 -103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.2 mt -50.84 -32.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.27 -64.22 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.158 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.74 -46.34 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.649 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -46.23 -53.46 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.788 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.0 mt -81.04 -58.35 3.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.9 m -50.73 -27.71 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.158 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.66 -68.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.73 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.83 37.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.42 -1.7 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.742 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.9 mm-40 -133.06 4.92 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.33 21.24 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.09 28.78 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CG ' ' HB3' ' A' ' 33' ' ' LEU . 1.5 tm? -111.0 152.7 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.432 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.04 -21.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.18 169.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.745 ' HB2' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 21.6 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.73 ' HA ' HG23 ' A' ' 4' ' ' VAL . 26.4 t -70.63 -19.65 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.604 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.89 -26.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.015 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.57 -34.15 18.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.854 ' CD1' HG22 ' A' ' 4' ' ' VAL . 10.0 m-30 -54.65 -13.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.18 133.18 8.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 128.93 11.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.38 68.11 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.658 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.27 11.38 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.892 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 22.7 m95 -95.7 -1.76 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.935 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.58 -21.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.935 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.05 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.697 ' CD1' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.17 -22.65 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.52 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -60.96 -57.24 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.742 ' HG ' ' CG ' ' A' ' 36' ' ' GLU . 1.9 mp -57.49 -44.46 84.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.19 -37.02 61.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.0 -24.34 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.11 67.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.689 ' HG ' ' CB ' ' A' ' 74' ' ' TRP . 2.2 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -55.98 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.567 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -52.89 -41.44 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.775 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 39.1 t90 -58.84 -30.13 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.84 -53.76 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -65.37 -48.23 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.775 ' CG1' ' HA ' ' A' ' 74' ' ' TRP . 7.8 p -63.97 -56.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.732 ' HG ' ' CE2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -69.74 -57.99 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.34 -29.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . . . -65.16 -47.91 75.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.723 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -51.69 -43.39 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.82 -24.52 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.82 78.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.585 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.65 -48.23 81.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -15.61 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -86.45 -59.27 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.804 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 45' ' ' LEU . . . -61.54 -43.51 98.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.838 HG11 ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -42.23 -50.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.48 -41.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.05 -39.55 56.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.787 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -66.92 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.671 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.56 -43.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.591 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 44.0 t -69.25 -66.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.144 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.47 -62.44 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' C ' ' O ' ' A' ' 11' ' ' ALA . 49.5 t -33.52 -47.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.89 -27.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.144 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.41 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.647 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -111.56 -33.77 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 108.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' A' ' 13' ' ' LYS . . . -66.68 -4.05 23.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 10.9 mp0 -76.33 -83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.7 -45.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.1 -47.09 33.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.857 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -54.74 -54.51 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.591 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -36.24 -42.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.835 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -91.91 -71.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.997 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.73 -34.5 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.857 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.59 -67.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.23 -49.61 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.54 0.9 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.997 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.67 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.703 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 3.0 mm-40 -140.47 6.92 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.48 21.99 6.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.11 39.5 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.2 4.98 25.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.715 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.59 11.36 36.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.715 ' CB ' ' O ' ' A' ' 40' ' ' MET . 25.9 t 136.76 118.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.789 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.05 -14.49 62.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.1 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.756 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -60.86 -32.96 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.838 ' CD1' HG11 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.49 -11.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 t -119.3 148.58 45.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.27 64.13 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.769 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.44 -15.79 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.659 ' HZ2' ' HB2' ' A' ' 11' ' ' ALA . 86.1 m95 -96.86 -16.64 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.857 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.49 -28.24 0.5 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -34.9 3.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.69 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -73.59 -22.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.587 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.8 OUTLIER -64.99 -60.66 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' THR . . . -73.66 -11.68 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.703 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.97 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.876 HD12 ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -52.9 -42.01 64.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.615 ' N ' ' CD2' ' A' ' 58' ' ' LEU . 5.3 t -53.09 -36.46 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -73.48 -21.65 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.62 70.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.632 ' CD1' HD22 ' A' ' 58' ' ' LEU . 15.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -44.49 86.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.01 -46.17 91.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.876 ' CE2' HD12 ' A' ' 58' ' ' LEU . 49.3 t90 -59.18 -37.87 78.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.22 -47.46 42.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.647 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.59 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.756 HG22 ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.04 -57.08 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.13 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.75 -29.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.794 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . . . -73.45 -49.79 25.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.671 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.1 tp -53.72 -44.06 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.648 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.83 -24.06 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.576 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.2 -50.61 65.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.76 -27.88 68.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.76 12.22 34.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.469 ' C ' HD11 ' A' ' 5' ' ' ILE . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.702 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.58 -39.33 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.95 -26.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.101 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.14 -68.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.83 -21.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' O ' ' N ' ' A' ' 11' ' ' ALA . 8.5 p -65.53 -70.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.658 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -45.0 -45.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.31 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.88 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.25 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.85 -21.53 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.851 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.3 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.82 -45.1 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.88 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.92 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.43 -69.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -97.93 -48.6 5.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' LYS . . . -60.48 -20.25 55.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 28' ' ' ALA . 2.1 mmtm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.2 tt0 -43.35 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.5 mt -52.71 -33.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.74 -77.16 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.971 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.01 -40.34 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.665 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.31 -54.31 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.96 -51.4 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.6 -34.18 64.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.971 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.82 -66.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.731 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.35 -48.15 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.85 -1.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.78 25.06 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.46 5.08 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.91 38.25 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.658 HD13 ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.41 44.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 HD22 ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.32 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.77 -29.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.19 162.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.622 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.14 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.802 ' HA ' HG23 ' A' ' 4' ' ' VAL . 4.0 m -71.91 -19.58 61.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.9 -30.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.026 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.92 -34.54 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.827 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 15.3 m-30 -55.09 -14.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.29 122.97 9.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.49 53.06 2.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.644 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.5 12.43 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.001 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.887 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.43 -0.74 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -75.01 -20.41 0.39 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.929 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.04 -36.07 2.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.658 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.36 -25.03 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.553 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -66.45 -51.53 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.14 61.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -65.53 -74.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.7 -34.3 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.777 ' N ' HD23 ' A' ' 58' ' ' LEU . 13.6 t -61.2 -35.73 77.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tm0? -67.5 -30.73 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -154.92 62.02 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.724 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.636 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -47.97 72.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -61.36 -47.48 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.832 ' O ' HG11 ' A' ' 77' ' ' VAL . 5.1 t90 -62.15 -49.8 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.84 -52.91 1.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.57 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.851 ' CG2' ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -68.04 -56.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.638 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.79 -54.74 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.794 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.39 -47.79 63.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.768 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.6 tm? -53.98 -44.77 71.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.632 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.08 -23.03 63.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.36 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.626 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.04 -52.53 55.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.8 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.3 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.661 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -91.42 -51.96 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.131 HG13 ' HA ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -44.1 -30.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.077 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.819 ' O ' ' N ' ' A' ' 11' ' ' ALA . 12.0 p -67.48 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.712 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.5 -41.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -67.04 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.838 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.75 -46.15 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.055 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.272 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.47 -21.29 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.579 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 53.8 t -73.8 -63.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.687 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.72 -45.68 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.6 m -59.99 -26.84 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.272 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -72.99 -74.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.684 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.87 40.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.259 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.83 3.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.19 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.446 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.11 -32.67 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.49 -77.08 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.15 -48.3 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.562 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -39.72 -49.38 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.1 -57.22 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.055 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -52.0 -37.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.4 -67.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.817 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -68.18 -47.03 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.849 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.9 tm0? -69.36 1.15 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.055 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.89 25.95 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.732 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.95 9.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.24 36.59 50.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' CD2' HD11 ' A' ' 33' ' ' LEU . 6.5 mp -124.18 33.51 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 ' CD2' ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.72 97.11 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.44 159.81 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.597 ' CG ' HG13 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.02 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 1.131 ' HA ' HG13 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.95 -16.78 53.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.1 t70 -46.05 -22.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.874 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.83 -32.61 27.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.901 ' CD1' HG12 ' A' ' 4' ' ' VAL . 8.8 m-30 -55.83 -11.25 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.5 t -138.71 131.08 15.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.54 42.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 43.72 93.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.54 7.29 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.774 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 34.3 m95 -96.15 -2.49 46.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.95 -24.17 0.53 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -35.27 3.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.737 ' CD1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.49 -20.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.776 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 1.2 m -70.52 -51.94 25.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.28 -15.35 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.4 -67.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.776 ' CD1' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -52.48 -40.17 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.62 ' N ' HD23 ' A' ' 58' ' ' LEU . 8.5 t -67.49 -37.51 82.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.47 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.67 54.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -41.65 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.609 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -58.99 -43.37 91.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.731 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 7.3 t90 -54.53 -51.16 66.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.82 -51.61 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.12 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.743 ' CG1' ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.97 -57.71 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.735 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.27 -58.84 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.2 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.4 -52.28 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.9 tp -50.99 -44.09 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.537 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.3 -24.68 62.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.59 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.47 -50.72 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.65 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.24 -36.91 20.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.72 -34.94 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.752 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.79 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.036 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.66 -44.72 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.746 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.6 mmtp -46.07 -39.46 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -73.88 -65.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.709 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 4.2 tp -43.44 -40.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.671 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.056 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.62 28.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.17 -22.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 9' ' ' SER . 1.3 t -72.32 -65.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.2 -43.26 8.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.21 -73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.5 t -104.96 46.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.351 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.01 -29.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE1' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 110.207 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.502 ' CD1' ' OE1' ' A' ' 25' ' ' GLU . 44.0 mt -53.67 -32.44 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.68 -77.46 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.87 -45.05 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.671 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -41.66 -53.13 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.19 -55.27 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.02 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.0 -47.74 82.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.605 1.191 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.94 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.22 -64.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.375 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.666 HD11 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.16 -55.52 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.741 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.87 4.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.02 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.4 tmtt? -140.8 27.5 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.221 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.763 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 16.9 mt-10 -144.72 8.15 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 106.35 33.03 3.51 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 mm? -131.55 49.5 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 ' CG ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.23 32.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.702 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.22 22.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 111.03 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.86 143.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.671 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.573 1.828 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.751 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.74 -18.3 65.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.6 t70 -33.79 -39.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.752 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -50.2 -32.59 16.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.0 m-30 -55.7 -4.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.12 149.41 41.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.2 Cg_endo -75.08 118.74 5.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 49.09 7.13 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.61 -0.27 52.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 0.811 . . . . 0.0 110.038 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.663 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 52.9 m95 -97.31 -7.79 31.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 108.084 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.2 -26.43 0.54 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -34.6 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.691 ' O ' ' OE2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -79.33 -24.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.643 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 1.3 m -65.63 -56.37 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 1.045 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.91 -12.69 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.94 -76.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.763 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -54.06 -37.81 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.561 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.9 mm-40 -71.37 -18.12 62.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.16 61.84 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.735 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.631 ' CD1' ' HA ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.25 -45.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.395 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -42.23 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.7 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 4.7 t90 -57.24 -48.7 78.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.59 -51.43 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.19 -37.85 86.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.891 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.59 -56.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' CB ' ' CE2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -73.71 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.31 -32.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.859 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.57 -50.25 53.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -51.82 -44.07 63.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.532 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.64 -23.02 62.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.36 -34.71 70.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.94 -48.85 74.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.16 65.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.88 -32.79 59.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.449 ' C ' HD11 ' A' ' 5' ' ' ILE . 7.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.689 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -88.22 -46.39 9.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.946 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.96 -28.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.137 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.58 -70.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.47 -22.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 1.055 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.893 ' O ' ' N ' ' A' ' 11' ' ' ALA . 13.9 p -65.85 -71.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.79 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 3.0 tp -44.45 -44.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.624 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.73 -64.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.653 1.22 . . . . 0.0 109.922 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.36 -48.4 67.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.102 . . . . 0.0 109.919 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.306 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.09 -23.23 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 9' ' ' SER . 19.4 t -71.85 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 108.354 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -96.92 -44.05 7.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.95 -30.77 70.43 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.306 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.3 -73.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.834 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.6 t -108.12 46.08 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.593 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.88 -26.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.535 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HD3' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 68.86 176.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.67 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.92 -57.93 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.908 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -52.42 -50.24 62.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.626 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.01 -44.11 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.975 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.43 -65.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.007 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 25.3 m -52.25 -34.58 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.908 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -71.14 -66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.79 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.67 -47.23 55.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.852 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.08 0.38 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.007 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.78 28.03 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.19 7.05 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 101.4 34.14 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 1.7 mm? -133.17 49.51 2.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.49 8.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.86 11.48 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.653 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.02 177.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.973 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HD2' ' OG ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.99 17.59 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.824 ' HA ' HG23 ' A' ' 4' ' ' VAL . 8.2 t -68.4 -23.25 64.63 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.433 1.083 . . . . 0.0 110.181 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.2 -31.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.946 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.67 -34.62 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CD1' HG22 ' A' ' 4' ' ' VAL . 11.2 m-30 -55.2 -12.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -134.58 128.76 19.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.928 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.12 24.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.88 58.1 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.65 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.43 14.27 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.796 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.833 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 21.3 m95 -97.38 -0.73 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 107.936 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.2 -19.82 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.38 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.05 -40.9 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.672 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.35 -18.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.63 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.66 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.71 -13.05 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.398 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.35 -71.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.912 ' CD1' ' CD1' ' A' ' 74' ' ' TRP . 1.4 mp -59.57 -41.97 91.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -34.55 65.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.57 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 12.5 mtt-85 -154.48 66.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.706 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.72 -44.89 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 77' ' ' VAL . 1.2 m -58.75 -43.44 90.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.912 ' CD1' ' CD1' ' A' ' 58' ' ' LEU . 22.8 t90 -56.33 -39.23 72.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.25 -46.76 56.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.77 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.11 -57.75 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.64 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.21 -60.11 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.37 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.897 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.58 -47.81 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.224 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.2 tp -51.6 -44.27 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.594 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.06 -24.51 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.82 73.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.574 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.35 -48.71 80.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -20.87 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.7 -46.86 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -66.24 -40.2 90.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.794 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.36 -50.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.084 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.72 -43.29 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.41 -37.4 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.773 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -67.31 -59.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.71 HD12 ' CZ2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -51.69 -41.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.716 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.14 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.18 -49.37 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.977 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.995 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.53 -60.45 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.532 ' C ' ' O ' ' A' ' 11' ' ' ALA . 36.3 t -32.13 -50.89 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 108.363 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.4 m -50.1 -37.4 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.381 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.995 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -58.85 -73.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.804 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.8 t -108.3 46.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.54 -24.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -72.22 -93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.9 mt -50.59 -33.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.72 -55.04 19.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.873 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -51.57 -56.04 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.716 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -35.02 -40.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.82 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.27 -74.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.59 -30.84 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.873 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.649 1.218 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -74.69 -48.33 26.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.28 2.28 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.597 1.186 . . . . 0.0 110.345 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.82 26.45 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.757 ' HE2' ' N ' ' A' ' 58' ' ' LEU . 9.0 mm-40 -140.53 5.82 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.8 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.654 ' CD2' HD11 ' A' ' 33' ' ' LEU . 4.6 mp -141.6 43.42 1.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.76 9.17 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.309 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.09 11.65 27.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 111.116 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.66 105.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.7 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -8.03 19.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.79 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.19 -10.63 55.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.514 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.09 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.794 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -52.09 -36.05 49.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.744 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 6.4 m-30 -61.67 -7.65 3.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -118.7 144.38 35.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.43 64.46 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.67 -18.15 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.71 ' CZ2' HD12 ' A' ' 8' ' ' ILE . 87.0 m95 -96.44 -22.71 16.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.869 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.84 -28.45 0.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.869 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.8 Cg_endo -75.06 -31.84 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.696 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -76.58 -24.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.568 ' OG1' HD22 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.0 -56.32 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.16 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 36' ' ' GLU . . . -63.13 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.39 -38.44 53.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.954 ' N ' HD23 ' A' ' 58' ' ' LEU . 5.7 t -59.35 -36.18 75.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.54 -21.93 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.23 70.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.689 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -66.2 -45.7 79.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 24' ' ' LYS . 1.3 p -59.8 -46.66 88.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.896 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 67.8 t90 -57.37 -27.37 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 108.007 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.47 -61.25 6.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.417 1.073 . . . . 0.0 111.033 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.1 tt -60.9 -44.12 97.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.87 HG13 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.17 -58.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.896 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.63 -59.26 2.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.09 -31.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.064 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.838 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.68 -48.06 56.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.724 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 3.6 tp -52.84 -44.17 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.54 ' CE ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.01 -24.12 63.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.32 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.59 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.33 -49.71 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -16.18 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.21 -44.02 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.711 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.71 ' O ' ' HB ' ' A' ' 7' ' ' VAL . . . -68.75 -44.4 73.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.818 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.62 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.094 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.72 -47.74 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.52 -34.44 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.76 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.37 1.044 . . . . 0.0 109.382 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.853 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 4.4 mt -49.75 -40.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.787 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.96 -68.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.184 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -53.88 24.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 35.8 t -36.78 -55.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.221 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.771 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.81 -59.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.36 -31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.184 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -71.44 -80.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.856 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.86 48.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.15 -14.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.771 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.55 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.15 -37.73 47.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.224 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.75 -77.22 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.416 1.072 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.0 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -47.13 -40.02 14.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.604 0.826 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.787 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.4 -54.11 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.13 -50.39 4.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.212 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.0 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.0 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.81 -69.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.853 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 3.2 mm? -70.3 -47.41 61.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.176 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.29 5.81 5.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.594 1.184 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.212 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.84 31.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.58 -4.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' C ' HD11 ' A' ' 38' ' ' LEU . . . 118.74 28.24 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 5.0 mp -131.89 43.15 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.41 13.18 27.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.627 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.42 8.15 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.9 p 148.55 110.51 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -6.49 17.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.756 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.33 -12.81 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.997 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.6 t0 -35.47 -35.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.818 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -51.05 -34.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.692 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.5 m-30 -56.95 -12.84 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -100.54 144.89 29.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.054 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.63 58.61 1.18 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.22 0.71 57.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.685 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 78.7 m95 -98.63 -17.0 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.906 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.33 0.47 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.906 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -39.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.834 ' CG1' ' HG2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.29 -21.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.23 -59.59 5.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . -80.19 -14.96 58.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -54.19 -68.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.693 ' O ' ' N ' ' A' ' 62' ' ' ALA . 3.0 mp -64.58 -43.89 92.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.19 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.72 -32.54 67.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.9 63.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TRP . 1.2 tp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.84 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.43 -44.21 89.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.68 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 32.6 t90 -53.67 -31.22 46.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.727 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.28 -50.39 68.19 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.628 1.205 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.856 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.52 -44.7 95.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.34 -59.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.63 ' CD1' ' CE ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -66.64 -58.19 5.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.727 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.84 -31.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.831 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -71.5 -48.46 48.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.642 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.8 tp -52.54 -44.29 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.79 -23.39 63.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.69 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.561 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.44 -50.07 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.68 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.63 -34.85 46.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' HD11 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.751 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.78 -37.46 17.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.015 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.71 -28.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.093 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.44 -66.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.84 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.785 HG13 ' HA ' ' A' ' 4' ' ' VAL . 7.2 p -66.3 -73.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.731 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.78 -39.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.648 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.84 -70.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -54.66 -45.08 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.85 -57.8 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.553 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 28.6 t -33.69 -51.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.87 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.3 m -47.08 -33.6 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.33 -72.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.61 ' N ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.33 -50.6 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -60.37 -12.81 26.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.23 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.6 mt -50.83 -31.97 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.4 -64.28 3.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.156 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.58 -46.39 39.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.648 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -46.23 -53.42 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.9 mt -81.1 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.8 m -50.74 -27.7 7.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.156 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.71 -68.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.731 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.87 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.789 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.45 -1.65 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.741 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.8 mm-40 -133.06 4.86 3.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.52 21.08 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.01 28.69 7.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.37 0.688 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.549 ' CG ' ' HB3' ' A' ' 33' ' ' LEU . 1.5 tm? -110.93 152.73 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.432 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.06 -21.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.29 169.17 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.744 ' HB2' HG11 ' A' ' 4' ' ' VAL . 18.6 Cg_endo -74.92 21.5 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.387 1.73 . . . . 0.0 111.053 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.73 ' HA ' HG23 ' A' ' 4' ' ' VAL . 26.6 t -70.5 -19.79 62.9 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.84 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.015 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.51 -34.13 18.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.855 ' CD1' HG22 ' A' ' 4' ' ' VAL . 9.9 m-30 -54.72 -13.37 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.21 133.18 8.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.603 1.844 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.42 68.08 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.659 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.34 11.32 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 0.725 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.892 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 22.7 m95 -95.68 -1.75 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 108.035 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.936 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.64 -20.98 0.43 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.388 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.936 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.9 Cg_endo -75.15 -44.42 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.697 ' CD1' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.22 -22.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.52 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -61.02 -57.24 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.12 -13.31 59.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.741 ' HG ' ' CG ' ' A' ' 36' ' ' GLU . 1.9 mp -57.47 -44.4 84.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.26 -36.99 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.03 -24.37 60.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.07 67.9 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.689 ' HG ' ' CB ' ' A' ' 74' ' ' TRP . 2.2 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -55.99 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.568 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -52.85 -41.46 64.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.775 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 39.0 t90 -58.9 -30.08 67.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.82 -53.9 39.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -65.17 -48.33 73.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 0.0 109.383 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.775 ' CG1' ' HA ' ' A' ' 74' ' ' TRP . 7.7 p -63.92 -56.11 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.733 ' HG ' ' CE2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -69.66 -58.02 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.4 -28.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . . . -65.42 -47.75 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.205 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.723 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -51.82 -43.31 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.76 -24.66 66.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -15.61 61.42 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.34 -59.27 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.805 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 45' ' ' LEU . . . -61.59 -43.55 98.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.839 HG11 ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -42.19 -50.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.53 -41.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.805 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.07 -39.51 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.787 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -66.99 -62.17 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.67 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.54 -44.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.403 1.065 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.59 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 43.8 t -69.13 -66.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.28 -48.26 79.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.146 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.46 -62.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ALA . 49.4 t -33.54 -47.7 0.24 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 108.333 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.53 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.86 -27.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.146 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.41 -87.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -111.55 -33.82 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 13' ' ' LYS . . . -66.76 -3.92 23.83 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.59 0.817 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 10.9 mp0 -76.35 -83.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.65 -45.79 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.07 33.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.856 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -54.75 -54.51 41.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.59 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -36.25 -42.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.835 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -91.91 -71.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.996 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.71 -34.46 18.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.856 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.68 -67.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.2 -49.59 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.56 0.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.996 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.57 2.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.703 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 2.9 mm-40 -140.51 6.99 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 22.0 6.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.399 1.062 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.07 39.37 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.13 4.98 25.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.716 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.51 11.21 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.716 ' CB ' ' O ' ' A' ' 40' ' ' MET . 26.0 t 136.74 118.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 110.038 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.97 -2.28 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.788 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.09 -14.44 62.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.0 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.755 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -60.89 -32.94 72.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.839 ' CD1' HG11 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.5 -11.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -119.36 148.57 45.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.29 63.97 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.77 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.27 -15.88 14.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 0.0 110.091 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.658 ' HZ2' ' HB2' ' A' ' 11' ' ' ALA . 86.0 m95 -96.83 -16.64 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.858 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.48 -28.24 0.5 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.858 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -74.98 -34.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.398 1.736 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.69 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -73.58 -22.81 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.586 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.8 OUTLIER -65.0 -60.7 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 55' ' ' THR . . . -73.62 -11.69 60.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.703 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.88 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.875 HD12 ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -52.87 -42.06 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.615 ' N ' ' CD2' ' A' ' 58' ' ' LEU . 5.2 t -53.04 -36.5 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 60' ' ' GLN . 2.0 tp-100 -73.45 -21.61 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.58 70.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.632 ' CD1' HD22 ' A' ' 58' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.91 -46.26 91.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.875 ' CE2' HD12 ' A' ' 58' ' ' LEU . 49.4 t90 -59.2 -37.8 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.19 -47.54 41.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.5 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.755 HG22 ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.18 -57.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.755 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.08 -60.84 2.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.74 -29.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.794 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . . . -73.48 -49.71 25.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 0.813 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.671 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.1 tp -53.85 -44.0 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.648 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.82 -24.09 62.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . -69.88 -34.83 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.574 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.1 -50.68 65.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.71 -27.95 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 12.19 35.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.47 ' C ' HD11 ' A' ' 5' ' ' ILE . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.701 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.59 -39.31 16.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.83 -26.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.102 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.09 -68.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.73 -22.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.827 ' O ' ' N ' ' A' ' 11' ' ' ALA . 8.5 p -65.38 -70.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.657 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.93 -45.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.879 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.28 -52.63 62.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.274 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.8 -21.61 7.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.852 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.26 -59.73 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.84 -45.09 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.879 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.88 -30.4 71.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.274 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.48 -69.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.02 -48.62 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 108.284 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 18' ' ' LYS . . . -60.46 -20.19 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.365 0.685 . . . . 0.0 109.245 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' ALA . 2.1 mmtm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.1 tt0 -43.37 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.6 mt -52.73 -33.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.81 -77.1 0.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.97 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.06 -40.3 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.665 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.3 -54.3 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.94 -51.28 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.615 1.197 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.69 -34.09 64.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.97 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.98 -66.27 0.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.73 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.49 -47.98 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.96 -1.47 5.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.73 25.05 3.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.681 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.45 5.09 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 38.09 20.57 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.659 HD13 ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.23 44.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.374 0.691 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.38 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.82 -29.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.16 163.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.926 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.621 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.05 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.802 ' HA ' HG23 ' A' ' 4' ' ' VAL . 4.0 m -71.93 -19.5 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.485 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.98 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.026 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.7 -34.64 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.39 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.828 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 15.3 m-30 -55.06 -14.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.27 122.99 10.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.056 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.26 15.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.411 1.743 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.46 53.01 2.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.419 1.074 . . . . 0.0 111.089 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.643 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.52 12.51 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.887 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.36 -0.78 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.071 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.98 -20.43 0.39 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.929 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.5 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.579 1.831 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.29 -25.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.553 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -66.55 -51.44 56.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -15.11 61.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -65.56 -74.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.68 -34.36 11.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 109.379 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.777 ' N ' HD23 ' A' ' 58' ' ' LEU . 13.6 t -61.17 -35.73 77.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -67.56 -30.6 70.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -155.04 62.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.626 1.204 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.725 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.637 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -48.01 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -61.37 -47.55 85.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.83 ' O ' HG11 ' A' ' 77' ' ' VAL . 5.2 t90 -62.15 -49.72 74.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 108.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.83 -52.94 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.59 80.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.852 ' CG2' ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -67.94 -57.01 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.637 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.78 -54.67 10.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.794 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.42 -47.81 62.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.769 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.6 tm? -53.94 -44.73 70.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.633 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.14 -23.11 62.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.36 75.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.625 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.02 -52.48 55.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.85 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -65.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.661 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -91.36 -52.02 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.131 HG13 ' HA ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -44.02 -30.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 1.076 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.714 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.817 ' O ' ' N ' ' A' ' 11' ' ' ALA . 11.8 p -67.53 -72.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.712 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.43 -41.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.226 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -66.97 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.839 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.78 -46.2 83.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 1.271 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.4 -21.29 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.579 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 53.8 t -73.79 -63.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.406 1.066 . . . . 0.0 108.231 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.688 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.62 -45.75 7.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.839 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.7 m -60.08 -26.74 66.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 1.271 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -72.92 -74.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.86 40.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.688 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.87 3.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.61 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.529 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.446 ' O ' ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.19 -32.65 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.53 -77.07 0.13 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.22 -48.17 54.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.561 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -39.77 -49.32 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.072 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -57.15 2.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 1.056 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -51.93 -37.23 51.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.33 -67.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.611 1.195 . . . . 0.0 109.356 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.817 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -68.17 -47.02 69.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.849 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.0 tm0? -69.24 1.04 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.056 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.86 25.92 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.731 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.9 9.76 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.25 36.54 50.35 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.432 1.083 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' CD2' HD11 ' A' ' 33' ' ' LEU . 6.6 mp -124.16 33.57 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.384 0.697 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.479 ' CD2' ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.75 97.1 7.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.4 159.8 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.597 ' CG ' HG13 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.0 0.88 8.37 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 1.131 ' HA ' HG13 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.91 -16.83 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.0 t70 -45.99 -22.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.874 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.77 -32.74 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.902 ' CD1' HG12 ' A' ' 4' ' ' VAL . 8.8 m-30 -55.8 -11.32 0.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.6 t -138.7 131.05 15.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.94 43.73 93.1 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.564 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.6 7.3 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.909 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.774 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 34.5 m95 -96.12 -2.44 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -24.13 0.52 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.98 -35.25 3.27 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.595 1.839 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.737 ' CD1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.54 -20.65 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.083 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.777 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 1.2 m -70.61 -51.86 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.32 -15.35 60.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.46 -67.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.777 ' CD1' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -52.47 -40.25 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.62 ' N ' HD23 ' A' ' 58' ' ' LEU . 8.5 t -67.45 -37.49 83.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.44 -31.58 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.71 54.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.67 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -41.72 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -58.92 -43.32 91.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.731 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 7.2 t90 -54.49 -51.25 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.81 -51.52 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.09 -40.89 97.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.396 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.743 ' CG1' ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.85 -57.8 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.736 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.2 -58.86 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.25 -27.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.46 -52.25 34.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 2.0 tp -50.98 -44.07 60.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.606 1.191 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.537 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.4 -24.56 62.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.2 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.592 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.29 -50.84 66.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.62 66.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -85.23 -37.0 20.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -64.33 -9.07 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.644 ' O ' ' N ' ' A' ' 7' ' ' VAL . . . -84.89 -40.89 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.994 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -40.56 -34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.198 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.35 -55.36 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER -52.39 -42.06 63.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.845 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -60.32 -64.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.735 ' N ' HG11 ' A' ' 7' ' ' VAL . 4.2 tp -44.36 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.683 ' N ' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.61 -65.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 1.024 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -59.16 -53.14 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.269 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -44.14 -54.8 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.552 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 45.0 t -40.3 -58.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -93.72 -57.1 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 1.024 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.5 m -49.76 -30.87 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.269 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -69.7 -76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.76 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.2 t -111.4 47.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -164.76 -18.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -27.68 96.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER 165.69 -63.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.25 170.36 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -43.66 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.5 t 159.19 59.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.62 -39.76 91.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -143.09 12.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 36.1 tt0 -47.98 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mt -54.48 -33.37 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.76 -82.01 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.873 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -50.54 -46.48 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.574 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -40.02 -47.4 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.839 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -95.01 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.946 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.5 m -55.82 -42.35 75.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.873 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.22 -62.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.696 ' CD1' HG13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -68.38 -47.74 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.1 tt0 -68.88 3.01 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.946 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.7 ttmt -136.34 21.91 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.697 ' CB ' HG12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -136.96 8.55 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 96.8 27.15 9.83 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' CD2' HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -121.48 50.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -91.06 17.14 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.3 tpp -91.61 10.21 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 40' ' ' MET . 1.2 p 94.1 177.75 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.624 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 18.41 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.73 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 1.2 m -68.88 -23.21 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.2 OUTLIER -39.18 -40.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.994 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 1.2 tt -61.61 -33.39 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.804 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 15.8 m-30 -56.12 -4.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 45' ' ' LEU . 13.7 t -127.69 137.23 30.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.88 11.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.63 46.05 86.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -96.57 15.21 22.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.98 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.715 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 28.9 m95 -95.85 -3.46 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.924 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.18 -23.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.924 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.99 -34.47 3.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.72 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -77.23 -18.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.661 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -72.59 -53.52 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -12.85 61.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.667 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -66.93 -71.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.769 ' CD1' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -52.37 -36.63 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.758 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.83 -36.99 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -21.2 63.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 64' ' ' ILE . 1.4 ptt180 -164.41 66.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.707 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -67.3 -9.03 36.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.19 12.93 31.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' CD2' ' A' ' 65' ' ' LEU . 9.1 mt -102.71 -11.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -112.55 151.9 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.67 73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 -7.39 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.88 24.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.8 -59.26 0.6 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -177.96 -65.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.584 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -124.65 1.49 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -51.79 -46.08 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 2.0 m -58.71 -46.0 88.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.769 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 3.6 t90 -59.27 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.94 -49.42 2.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.09 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.76 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -65.07 -41.1 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.799 ' CG1' ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -69.53 -56.83 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.719 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -31.27 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.869 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.33 -47.46 64.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 2.0 tp -51.62 -43.51 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.596 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.14 -24.29 64.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 86' ' ' GLU . . . -70.11 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.58 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.88 -44.99 91.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.41 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -77.63 -23.6 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.562 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.412 ' O ' HD11 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -58.94 -8.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.39 -39.77 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.977 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.75 -29.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.166 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.42 -67.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 10' ' ' SER . 86.1 tttt -49.31 -21.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.888 ' O ' ' N ' ' A' ' 11' ' ' ALA . 12.3 p -67.64 -70.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.774 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 5.5 tp -45.95 -48.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.626 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 77.3 p -60.77 -61.61 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.857 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -68.43 -52.58 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.366 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.61 -20.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 9' ' ' SER . 0.8 OUTLIER -73.25 -63.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -97.02 -41.41 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.857 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -64.54 -29.28 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.366 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -60.61 -70.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -96.7 -47.65 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.334 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -62.16 -15.56 50.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER 36.24 -104.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 21' ' ' PRO . 10.0 m -96.4 -45.52 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 m -34.27 95.58 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 179.95 5.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER 167.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.041 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' SER . 2.1 mttt 170.05 163.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.531 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER 77.41 -0.56 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -47.22 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' MET . 3.3 mt -51.38 -33.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.69 -60.84 5.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.898 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -50.18 -53.52 27.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.626 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -37.38 -43.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.837 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -95.23 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.987 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 69.1 m -52.72 -34.72 53.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.898 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -68.19 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.774 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.79 -45.02 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.837 ' N ' ' O ' ' A' ' 30' ' ' LEU . 10.3 tt0 -70.57 0.87 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.987 ' CB ' ' O ' ' A' ' 31' ' ' SER . 4.9 ttmm -139.39 26.14 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.765 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 4.8 mm-40 -140.08 7.7 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.504 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 95.62 27.4 10.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.603 ' CD2' HD11 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -123.2 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -94.45 24.65 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.09 4.17 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.1 p 99.81 174.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.629 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 17.46 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.867 ' HA ' HG23 ' A' ' 4' ' ' VAL . 4.4 t -67.86 -25.28 65.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' SER . 5.3 t70 -33.55 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.977 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -71.58 -35.91 70.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.832 ' N ' ' O ' ' A' ' 43' ' ' SER . 13.7 m-30 -54.7 -10.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' LEU . 19.1 t -138.14 129.87 15.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.14 17.38 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.38 56.69 4.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -123.24 11.94 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.884 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 11.3 m95 -95.4 -2.1 49.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.919 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.12 -20.95 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.919 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.0 -35.44 3.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.643 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -75.79 -26.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.548 ' OG1' ' CD2' ' A' ' 78' ' ' LEU . 1.1 m -67.05 -52.59 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.84 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.765 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -64.67 -75.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.46 -35.72 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.801 ' N ' HD23 ' A' ' 58' ' ' LEU . 3.1 t -62.91 -37.88 88.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.87 -24.91 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.736 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -69.41 -10.48 58.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.495 ' O ' HG13 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -80.67 -27.34 37.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 63' ' ' MET . 2.9 mp -144.07 66.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.566 ' HG ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -103.33 -150.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.566 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -40.37 -32.14 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 69' ' ' GLY . 21.4 tttt -126.04 151.48 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 t -49.56 -19.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 67' ' ' LYS . . . 164.23 82.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -172.11 68.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.642 HD12 ' CB ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -54.45 -16.6 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -40.44 -41.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.531 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.73 -48.61 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.894 ' O ' HG11 ' A' ' 77' ' ' VAL . 2.0 t90 -62.86 -33.34 75.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.11 -52.78 25.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -66.64 -41.05 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.894 HG11 ' O ' ' A' ' 74' ' ' TRP . 0.6 OUTLIER -65.51 -57.26 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.655 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.71 -58.09 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.81 -30.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.798 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.54 -47.95 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.743 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.8 tm? -52.52 -44.72 65.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.589 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.36 -23.41 63.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.8 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.616 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.45 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -20.14 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -13.54 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.661 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' O ' HD11 ' A' ' 5' ' ' ILE . 2.9 tt0 -61.06 -13.22 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.745 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -85.45 -37.63 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.015 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.19 -27.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.033 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.17 -66.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -50.57 -20.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.866 ' O ' ' N ' ' A' ' 11' ' ' ALA . 9.5 p -65.99 -70.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.67 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -42.45 -45.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.22 -64.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.762 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -65.09 -49.41 70.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.263 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.48 -20.62 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 9' ' ' SER . 7.5 t -73.93 -60.57 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -92.5 -50.28 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.762 ' N ' ' O ' ' A' ' 10' ' ' SER . 91.4 m -56.35 -30.38 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.263 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -69.58 -70.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.669 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -105.21 46.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.557 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -166.62 -27.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' GLY . 1.1 mptm? 35.46 -99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' SER . 31.1 m -39.37 -29.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 19' ' ' THR . 55.7 p -35.12 131.28 0.48 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.49 34.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -72.04 80.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.4 OUTLIER 76.62 11.45 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.7 tt0 -46.58 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.8 mp -53.17 -32.2 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -52.1 -67.46 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.866 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -47.96 -47.43 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.611 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -41.7 -53.25 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.752 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 1.1 tp -86.5 -53.77 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.167 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -63.66 -54.13 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.89 ' HG ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -47.74 -56.92 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.92 -57.93 3.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.752 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tm0? -71.69 11.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.2 tmtt? -138.55 20.52 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 46.3 mt-10 -136.37 5.87 3.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.62 27.44 73.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -137.79 43.93 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB2' ' C ' ' A' ' 33' ' ' LEU . 3.3 tm? -112.84 133.42 54.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.518 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.9 ttt -144.58 -26.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.1 OUTLIER 158.08 162.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.675 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 19.67 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' HG23 ' A' ' 4' ' ' VAL . 3.6 m -73.57 -18.35 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.508 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 5.6 t70 -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.015 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -79.14 -33.65 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.828 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 14.2 m-30 -56.87 -12.93 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.6 t -146.51 125.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.17 17.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.76 51.65 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.666 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.85 15.73 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.858 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 26.2 m95 -96.71 -1.15 47.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.945 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t70 -77.65 -19.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.945 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -74.99 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.699 ' CD1' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.37 -20.75 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.637 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 1.3 m -66.02 -49.64 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.53 -13.98 60.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -65.31 -72.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.729 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -51.93 -38.54 56.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.702 ' N ' HD23 ' A' ' 58' ' ' LEU . 4.7 t -58.58 -36.88 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.94 -23.8 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.12 66.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -72.98 -16.14 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -81.44 -16.53 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.526 ' CD1' ' C ' ' A' ' 63' ' ' MET . 4.2 mp -147.14 65.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.629 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.44 -146.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.609 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -48.09 -48.53 25.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -117.84 65.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 67' ' ' LYS . 1.7 m 35.92 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . . . -113.09 70.51 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -161.91 64.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.64 ' CD1' ' HB2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -59.71 -11.46 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.04 -45.81 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.553 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.89 -46.37 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.704 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 1.3 t90 -60.57 -45.83 92.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.69 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -40.75 -49.54 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.544 ' CD2' ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -63.53 -42.17 98.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.89 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.83 -57.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.739 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.83 -58.8 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.46 -27.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.889 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -67.71 -52.58 35.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 2.8 tp -50.28 -43.72 53.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.78 -25.3 62.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.59 76.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -62.86 -47.33 83.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -73.17 -19.24 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.55 -21.98 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' HA2' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -88.81 -45.16 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.738 ' HA ' ' HB3' ' A' ' 6' ' ' LYS . . . -61.89 -44.06 97.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.808 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -43.71 -53.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.039 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.49 -39.07 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 3' ' ' ALA . 4.3 ttmm -52.05 -41.12 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -71.08 -64.89 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.736 HG21 ' O ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -41.35 -45.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.623 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.0 t -66.06 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -64.24 -46.38 84.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.299 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.34 -24.72 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 47.4 t -73.5 -58.14 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.784 ' O ' ' N ' ' A' ' 18' ' ' LYS . 4.9 ttpm? -93.89 -53.33 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.832 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.6 m -54.52 -29.89 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.299 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -68.7 -74.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.681 ' N ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.04 -47.3 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -55.07 -18.33 12.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.784 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.0 tttt 61.91 -77.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 17' ' ' GLY . 1.6 t -154.89 -51.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' THR . 1.7 t -35.42 96.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.02 179.05 6.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER 161.27 40.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 33.99 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 175.94 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.588 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 5.7 mp0 -73.13 -76.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.5 mm -49.47 -39.56 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.13 -42.2 61.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.852 ' CA ' ' HB2' ' A' ' 32' ' ' LEU . . . -56.24 -53.83 52.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -37.01 -45.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.822 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -85.16 -71.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.015 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -55.56 -47.88 75.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.852 ' HB2' ' CA ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -51.66 -59.34 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.723 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.78 -52.28 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 30' ' ' LEU . 27.9 mt-30 -67.86 4.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.015 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.0 tptt -138.97 23.65 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.674 ' HG3' ' CB ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -141.56 7.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.48 41.89 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.553 ' CD1' ' OE2' ' A' ' 36' ' ' GLU . 4.7 mp -141.43 46.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 34' ' ' GLN . 2.6 tp -112.33 12.58 20.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.65 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -102.09 1.95 36.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.9 m 145.93 120.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -74.99 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.808 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.77 -12.95 61.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' OG ' ' A' ' 50' ' ' SER . 19.1 t70 -37.17 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.767 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -55.51 -35.38 65.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.718 ' N ' HD21 ' A' ' 45' ' ' LEU . 3.6 m-30 -55.05 -12.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -95.98 147.44 32.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 107.92 2.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 87.48 69.0 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.794 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -100.27 -4.95 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.639 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 75.2 m95 -93.85 -26.75 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.818 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -71.16 -32.09 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.6 Cg_endo -74.97 -27.95 9.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.78 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.97 -18.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -73.75 -55.92 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -75.67 -27.38 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.597 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . . . -58.99 -61.6 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.954 ' CD1' ' HB2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -59.86 -44.53 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -55.68 -38.85 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -68.01 -21.56 65.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.531 ' C ' ' N ' ' A' ' 63' ' ' MET . 17.8 mtt85 -114.35 -75.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . 44.66 18.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -123.81 -23.19 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 2.5 pt -104.01 17.22 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.623 ' CD2' ' H ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -105.63 -128.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.623 ' H ' ' CD2' ' A' ' 65' ' ' LEU . . . 85.79 77.72 1.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB3' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.48 2.94 15.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -179.69 35.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.95 -84.69 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -144.81 -46.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.558 ' HG ' ' CB ' ' A' ' 74' ' ' TRP . 1.5 tp -154.71 22.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -56.5 -50.28 72.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 ' C ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.82 -43.26 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.954 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 33.8 t90 -51.81 -36.92 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -57.55 -49.2 75.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 3.8 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.823 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.97 -53.92 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.786 ' CD2' HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.78 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -35.4 -30.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . . . -68.11 -50.82 52.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.714 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 12.2 tp -52.62 -41.73 63.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 1.6 mptp? -68.75 -24.32 64.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.63 76.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.43 -50.86 65.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -20.02 66.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -85.36 -58.26 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.673 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -55.62 2.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.745 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.73 -35.04 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.753 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.76 -53.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.036 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.71 -44.69 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.5 mmtp -46.03 -39.53 9.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -73.83 -65.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.709 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 4.2 tp -43.34 -40.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.672 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.1 -64.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.64 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -22.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 9' ' ' SER . 1.3 t -72.2 -65.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.1 -43.24 8.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.9 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.23 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -104.83 46.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -163.98 -29.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 26.5 45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLY . 87.0 m -158.95 20.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 19' ' ' THR . 74.4 m -35.04 93.91 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -53.36 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 25' ' ' GLU . 0.2 OUTLIER 175.53 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' GLU . 11.3 mmtt -80.48 161.65 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm 68.46 -64.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE1' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.12 -88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.502 ' CD1' ' OE1' ' A' ' 25' ' ' GLU . 44.1 mt -53.55 -32.55 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.64 -77.58 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.941 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.67 -45.19 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.672 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -41.59 -53.07 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -55.28 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.019 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.01 -47.73 82.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.941 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.21 -64.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.665 HD11 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.03 -55.58 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.92 4.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.019 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.3 tmtt? -140.82 27.6 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 17.0 mt-10 -144.83 8.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 106.3 32.98 3.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 mm? -131.54 49.58 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.28 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.701 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.31 22.35 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.701 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.79 143.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.96 -3.05 13.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.75 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.92 -18.18 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.7 t70 -33.76 -39.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.753 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -50.18 -32.5 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.75 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.0 m-30 -55.84 -4.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.18 149.41 41.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.02 118.79 5.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.13 49.0 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.57 -0.3 52.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.663 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 52.8 m95 -97.33 -7.86 31.0 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.21 -26.4 0.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.97 -34.6 3.73 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.692 ' O ' ' OE2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -79.34 -24.76 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.643 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 1.3 m -65.59 -56.36 12.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.97 -12.54 60.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.96 -76.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.762 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -54.04 -37.85 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.562 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.8 mm-40 -71.36 -18.1 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.56 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -155.01 61.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.735 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -81.54 0.12 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 mtm -78.16 -6.54 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.56 ' CG1' ' O ' ' A' ' 61' ' ' ARG . 1.2 pt -101.08 -14.54 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -131.07 143.88 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.801 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 90.43 -27.28 8.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -46.55 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -108.64 -16.2 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -128.34 -101.87 1.08 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.608 ' N ' ' H ' ' A' ' 66' ' ' GLY . 1.5 tp10 178.05 73.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.801 ' H ' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -58.4 -20.83 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.47 -45.26 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -42.17 77.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.699 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 4.8 t90 -57.22 -48.75 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.55 -51.42 2.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.2 -37.89 86.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.889 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.63 -56.9 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.652 ' CB ' ' CE2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -73.72 -59.16 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -32.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.859 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.53 -50.27 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -51.84 -44.08 63.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.62 -23.02 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.71 70.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.01 -48.83 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.21 65.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.8 -32.85 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.671 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' C ' HD11 ' A' ' 5' ' ' ILE . 7.1 tp10 64.77 -19.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -88.19 -46.33 9.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.945 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.99 -28.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.136 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.56 -70.31 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.44 -22.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.893 ' O ' ' N ' ' A' ' 11' ' ' ALA . 13.9 p -65.79 -71.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.79 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 3.1 tp -44.42 -44.1 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.624 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.66 -64.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.37 -48.37 67.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.307 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.04 -23.27 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 9' ' ' SER . 19.4 t -71.82 -63.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.594 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -97.07 -44.0 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.307 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.26 -73.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.7 t -108.12 46.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.9 -26.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.535 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt 66.09 -68.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -150.77 -44.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.4 m -34.33 110.8 0.39 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.2 7.58 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 43.8 t 179.88 -78.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' SER . 2.0 mptp? -145.43 -47.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -42.47 -91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 68.8 176.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.79 -32.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.99 -57.91 7.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.908 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -52.45 -50.29 62.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.626 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -39.76 -44.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.854 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.36 -65.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.004 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 24.9 m -52.16 -34.62 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.908 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -71.11 -66.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.79 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.59 -47.25 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.854 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.12 0.4 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.004 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.75 27.9 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.11 7.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 101.34 34.06 4.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 1.7 mm? -133.13 49.49 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.95 11.58 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.01 177.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.61 ' HD2' ' OG ' ' A' ' 41' ' ' SER . 18.3 Cg_endo -75.0 17.67 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.824 ' HA ' HG23 ' A' ' 4' ' ' VAL . 8.0 t -68.47 -23.31 64.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.19 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.945 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.64 -34.62 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CD1' HG22 ' A' ' 4' ' ' VAL . 11.4 m-30 -55.13 -12.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -134.59 128.81 19.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.19 23.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 58.09 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.651 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.46 14.16 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.732 . . . . 0.0 109.968 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.833 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 21.4 m95 -97.24 -0.76 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.29 -19.74 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.672 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.29 -18.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.629 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.56 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.87 -13.06 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.33 -71.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.912 ' CD1' ' CD1' ' A' ' 74' ' ' TRP . 1.4 mp -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -34.54 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.65 71.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 12.7 mtt-85 -154.43 66.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -76.39 0.11 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -11.02 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 61' ' ' ARG . 5.2 pt -103.37 18.03 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.666 ' CD1' ' CD2' ' A' ' 58' ' ' LEU . 1.2 tp -109.25 -132.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' H ' ' CG ' ' A' ' 65' ' ' LEU . . . 102.61 63.83 0.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 -0.93 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.8 t -178.66 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.89 -101.73 0.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.461 ' O ' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -106.36 -66.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.706 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp -146.64 19.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.77 -44.96 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.415 ' O ' HG21 ' A' ' 77' ' ' VAL . 1.1 m -58.71 -43.44 90.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.912 ' CD1' ' CD1' ' A' ' 58' ' ' LEU . 22.7 t90 -56.32 -39.26 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.29 -46.67 57.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.24 -44.9 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.77 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.24 -57.62 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.641 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.29 -60.06 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.897 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.57 -47.68 59.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.2 tp -51.67 -44.29 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.594 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.79 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.573 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.33 -48.8 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -20.97 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.61 -46.91 12.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.816 ' N ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 -88.21 -34.71 17.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.35 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -66.17 -40.23 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.816 ' CG2' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -47.36 -50.34 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.086 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.73 -43.32 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.37 -37.43 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.773 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -67.28 -59.76 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.71 HD12 ' CZ2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -51.7 -41.21 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.716 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.08 -67.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.22 -49.35 74.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.996 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.62 -60.36 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 11' ' ' ALA . 36.3 t -32.19 -50.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -50.2 -37.32 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.996 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -58.85 -73.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.803 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.7 t -108.21 46.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.53 -24.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER 63.61 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -143.04 -43.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -21.8 95.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.94 -179.64 5.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.787 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 161.72 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 22' ' ' SER . 0.9 OUTLIER 160.3 163.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER 71.02 4.65 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -72.17 -93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.8 mt -50.51 -33.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.59 -55.12 18.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.872 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -51.59 -56.01 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.716 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -35.03 -40.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.821 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.25 -74.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.65 -30.81 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.872 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD11 ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -74.67 -48.35 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.37 2.33 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.8 26.43 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.757 ' HE2' ' N ' ' A' ' 58' ' ' LEU . 9.0 mm-40 -140.45 5.67 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 35.88 2.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.655 ' CD2' HD11 ' A' ' 33' ' ' LEU . 4.6 mp -141.75 43.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.81 9.19 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.11 11.7 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.68 105.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.699 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 -8.12 19.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.791 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.25 -10.56 55.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.12 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.795 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -52.13 -36.03 50.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.745 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 6.4 m-30 -61.67 -7.7 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.0 t -118.72 144.4 35.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.39 64.35 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.61 -18.12 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.71 ' CZ2' HD12 ' A' ' 8' ' ' ILE . 87.0 m95 -96.46 -22.79 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.868 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.69 -28.59 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.868 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.95 -31.86 5.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.696 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -76.67 -24.83 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.568 ' OG1' HD22 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.02 -56.27 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.14 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 36' ' ' GLU . . . -63.07 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.49 -38.37 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.954 ' N ' HD23 ' A' ' 58' ' ' LEU . 5.7 t -59.45 -36.08 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.65 -21.71 64.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.35 70.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -75.54 -21.65 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 ttm -77.06 2.14 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -145.45 51.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' CD1' ' OE1' ' A' ' 36' ' ' GLU . 6.6 tt -103.06 179.28 4.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' CA ' ' HD2' ' A' ' 35' ' ' LYS . . . -86.52 26.25 6.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -119.4 -43.83 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t 73.86 -54.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.25 -63.5 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -172.9 -72.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.689 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -179.02 31.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -66.2 -45.81 79.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 24' ' ' LYS . 1.3 p -59.81 -46.52 88.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.894 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 68.3 t90 -57.42 -27.35 62.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 107.978 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.62 -61.16 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.803 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.2 tt -60.95 -44.08 97.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.871 HG13 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.14 -58.31 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.894 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.64 -59.26 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.12 -31.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.117 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.837 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.69 -48.17 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.723 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 3.6 tp -52.73 -44.1 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.54 ' CE ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.2 -24.02 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.26 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.591 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.46 -49.68 70.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -16.1 62.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.25 -43.97 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.633 ' CA ' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.712 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 67.18 -50.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.71 ' O ' ' HB ' ' A' ' 7' ' ' VAL . . . -68.77 -44.38 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.819 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.082 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.095 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 -47.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.712 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.43 -34.44 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.76 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.854 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 4.4 mt -49.63 -40.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.788 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.93 -68.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.65 -51.36 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.185 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.21 -53.82 25.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 35.7 t -36.87 -55.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.79 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.38 -31.17 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.185 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -71.43 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.856 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.87 47.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 108.27 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.13 -14.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 58.29 -172.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.516 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 1.8 m -62.2 -47.62 83.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' THR . 43.0 t -37.78 103.51 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 179.43 6.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.6 m 154.41 49.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 12.2 mptt 68.7 157.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? 80.49 -50.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.45 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.16 -37.63 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.88 -77.14 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.0 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -47.14 -40.02 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.788 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.45 -54.03 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.11 -50.48 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.213 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.4 m -58.49 -30.67 67.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.0 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.76 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.854 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 3.2 mm? -70.15 -47.43 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.35 5.86 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.213 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.86 31.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.66 -4.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' C ' HD11 ' A' ' 38' ' ' LEU . . . 118.69 28.26 2.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 5.0 mp -131.91 43.13 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.34 13.14 27.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.625 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.41 8.19 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.8 p 148.55 110.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 -6.59 18.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.755 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.27 -12.84 61.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.7 t0 -35.62 -35.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.819 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -51.05 -34.26 29.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.693 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.5 m-30 -56.92 -12.85 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -100.67 144.93 29.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.53 58.62 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.24 0.73 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.685 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 78.6 m95 -98.67 -16.95 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.37 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -75.0 -39.03 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.438 1.757 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.834 ' CG1' ' HG2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.33 -21.28 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.24 -59.54 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . -80.23 -14.9 58.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -54.09 -68.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 65' ' ' LEU . 3.0 mp -64.56 -43.91 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.05 61.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.75 -32.57 67.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' NE ' HD12 ' A' ' 64' ' ' ILE . 3.1 mmm180 -149.88 63.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -71.28 -5.53 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.3 mmm -94.61 10.66 33.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -102.6 -10.88 9.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.752 ' CD1' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.86 -158.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.58 81.61 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 30.44 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.0 t 177.23 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.82 -98.44 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.26 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TRP . 1.2 tp -138.38 23.5 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.81 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.49 -44.18 89.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.681 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 32.7 t90 -53.65 -31.24 46.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.726 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.22 -50.47 67.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.856 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.47 -44.7 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.681 ' CG2' ' HA ' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.29 -59.59 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.63 ' CD1' ' CE ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -66.54 -58.21 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.79 -31.04 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.831 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -71.58 -48.36 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.642 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.8 tp -52.68 -44.16 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.9 -23.39 63.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.56 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.47 -50.02 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.64 66.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.72 -34.75 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' O ' HD11 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -55.41 -11.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.75 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.65 -37.57 17.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.015 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.62 -28.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.093 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.46 -66.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.697 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.86 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 4' ' ' VAL . 7.2 p -66.26 -73.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.73 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.85 -39.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.92 -70.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -54.65 -45.03 73.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.95 -57.75 8.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.554 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 29.0 t -33.65 -51.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.88 -64.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.1 m -46.98 -33.65 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.32 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.608 ' N ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.46 -50.48 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.266 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 21' ' ' PRO . . . -60.36 -12.85 26.78 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.85 -172.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.547 ' O ' ' CG2' ' A' ' 19' ' ' THR . 1.0 OUTLIER -107.03 13.16 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -86.34 -63.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -175.51 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 11.1 t -149.83 19.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -73.15 124.91 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.567 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER 35.2 49.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.11 -103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.2 mt -50.84 -32.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.27 -64.22 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.158 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.74 -46.34 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.649 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -46.23 -53.46 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.788 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.0 mt -81.04 -58.35 3.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.9 m -50.73 -27.71 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.158 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.66 -68.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.73 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.83 37.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.42 -1.7 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.742 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.9 mm-40 -133.06 4.92 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.33 21.24 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.09 28.78 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CG ' ' HB3' ' A' ' 33' ' ' LEU . 1.5 tm? -111.0 152.7 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.432 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.04 -21.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.18 169.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.745 ' HB2' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 21.6 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.73 ' HA ' HG23 ' A' ' 4' ' ' VAL . 26.4 t -70.63 -19.65 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.604 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.89 -26.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.015 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.57 -34.15 18.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.854 ' CD1' HG22 ' A' ' 4' ' ' VAL . 10.0 m-30 -54.65 -13.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.18 133.18 8.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 128.93 11.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.38 68.11 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.658 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.27 11.38 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.892 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 22.7 m95 -95.7 -1.76 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.935 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.58 -21.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.935 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.05 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.697 ' CD1' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.17 -22.65 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.52 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -60.96 -57.24 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.742 ' HG ' ' CG ' ' A' ' 36' ' ' GLU . 1.9 mp -57.49 -44.46 84.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.19 -37.02 61.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.0 -24.34 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.11 67.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.4 -19.85 65.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -72.62 -0.9 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 64' ' ' ILE . 2.7 mp -124.97 37.91 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.766 ' HG ' ' N ' ' A' ' 66' ' ' GLY . 1.5 tp -104.89 174.14 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.766 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -44.78 -45.8 9.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -118.5 142.91 47.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.9 p -73.99 -6.5 47.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.98 -93.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.588 ' O ' HD11 ' A' ' 71' ' ' LEU . 2.2 tt0 -146.38 -72.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.689 ' HG ' ' CB ' ' A' ' 74' ' ' TRP . 2.2 tp 174.57 39.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -55.98 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.567 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -52.89 -41.44 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.775 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 39.1 t90 -58.84 -30.13 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.84 -53.76 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -65.37 -48.23 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.775 ' CG1' ' HA ' ' A' ' 74' ' ' TRP . 7.8 p -63.97 -56.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.732 ' HG ' ' CE2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -69.74 -57.99 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.34 -29.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . . . -65.16 -47.91 75.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.723 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -51.69 -43.39 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.82 -24.52 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.82 78.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.585 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.65 -48.23 81.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -15.61 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -86.45 -59.27 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.707 ' HA3' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.804 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 66.13 -44.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 45' ' ' LEU . . . -61.54 -43.51 98.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.838 HG11 ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -42.23 -50.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.48 -41.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.05 -39.55 56.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.787 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -66.92 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.671 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.56 -43.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.591 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 44.0 t -69.25 -66.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.144 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.47 -62.44 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' C ' ' O ' ' A' ' 11' ' ' ALA . 49.5 t -33.52 -47.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.89 -27.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.144 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.41 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.647 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -111.56 -33.77 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 108.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -66.68 -4.05 23.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -32.82 -22.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.815 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -63.13 33.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.697 ' H ' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -22.65 -49.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.815 ' HD2' ' C ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 29.08 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.792 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.4 t -114.98 -26.87 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 81.14 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 80.55 14.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 23' ' ' LYS . 10.9 mp0 -76.33 -83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.7 -45.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.1 -47.09 33.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.857 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -54.74 -54.51 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.591 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -36.24 -42.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.835 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -91.91 -71.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.997 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.73 -34.5 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.857 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.59 -67.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.23 -49.61 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.54 0.9 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.997 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.67 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.703 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 3.0 mm-40 -140.47 6.92 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.48 21.99 6.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.11 39.5 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.2 4.98 25.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.715 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.59 11.36 36.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.715 ' CB ' ' O ' ' A' ' 40' ' ' MET . 25.9 t 136.76 118.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.789 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.05 -14.49 62.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.1 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.756 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -60.86 -32.96 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.838 ' CD1' HG11 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.49 -11.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 t -119.3 148.58 45.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.27 64.13 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.769 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.44 -15.79 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.659 ' HZ2' ' HB2' ' A' ' 11' ' ' ALA . 86.1 m95 -96.86 -16.64 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.857 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.49 -28.24 0.5 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -34.9 3.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.69 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -73.59 -22.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.587 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.8 OUTLIER -64.99 -60.66 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' THR . . . -73.66 -11.68 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.703 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.97 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.876 HD12 ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -52.9 -42.01 64.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.615 ' N ' ' CD2' ' A' ' 58' ' ' LEU . 5.3 t -53.09 -36.46 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -73.48 -21.65 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.62 70.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.1 -11.65 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -8.83 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.44 57.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -97.38 -129.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.621 ' H ' ' CD2' ' A' ' 65' ' ' LEU . . . -85.38 -71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 -170.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -77.25 -12.13 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 68' ' ' SER . . . -37.14 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 6.4 tt0 -174.37 -76.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.682 ' CD2' ' CD1' ' A' ' 65' ' ' LEU . 15.0 mt -158.97 22.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -44.49 86.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.01 -46.17 91.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.876 ' CE2' HD12 ' A' ' 58' ' ' LEU . 49.3 t90 -59.18 -37.87 78.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.22 -47.46 42.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.647 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.59 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.756 HG22 ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.04 -57.08 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.13 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.75 -29.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.794 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . . . -73.45 -49.79 25.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.671 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.1 tp -53.72 -44.06 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.648 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.83 -24.06 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.2 -50.61 65.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.76 -27.88 68.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.76 12.22 34.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' C ' HD11 ' A' ' 5' ' ' ILE . 2.0 mm-40 -56.66 -8.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.702 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.58 -39.33 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.95 -26.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.101 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.14 -68.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.83 -21.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' O ' ' N ' ' A' ' 11' ' ' ALA . 8.5 p -65.53 -70.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.658 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -45.0 -45.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.31 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.88 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.25 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.85 -21.53 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.851 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.3 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.82 -45.1 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.88 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.92 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.43 -69.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -97.93 -48.6 5.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -60.48 -20.25 55.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt 27.82 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 17' ' ' GLY . 30.7 m -34.85 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 23.5 t -32.87 107.58 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 171.03 59.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 5.6 mtmp? -142.89 110.81 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.1 mmtm 89.21 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.2 tt0 -43.35 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.5 mt -52.71 -33.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.74 -77.16 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.971 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.01 -40.34 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.665 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.31 -54.31 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.96 -51.4 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.6 -34.18 64.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.971 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.82 -66.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.731 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.35 -48.15 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.85 -1.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.78 25.06 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.46 5.08 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.91 38.25 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.658 HD13 ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.41 44.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 HD22 ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.32 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.77 -29.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.19 162.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.622 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.14 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.802 ' HA ' HG23 ' A' ' 4' ' ' VAL . 4.0 m -71.91 -19.58 61.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.9 -30.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.026 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.92 -34.54 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.827 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 15.3 m-30 -55.09 -14.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.29 122.97 9.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.49 53.06 2.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.644 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.5 12.43 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.001 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.887 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.43 -0.74 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -75.01 -20.41 0.39 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.929 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.04 -36.07 2.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.658 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.36 -25.03 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.553 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -66.45 -51.53 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.14 61.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -65.53 -74.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.7 -34.3 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.777 ' N ' HD23 ' A' ' 58' ' ' LEU . 13.6 t -61.2 -35.73 77.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tm0? -67.5 -30.73 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 1.3 mtt85 -154.92 62.02 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.724 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -66.54 -38.87 88.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.3 mtt -72.83 -9.31 58.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.59 64.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.597 ' HG ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -104.37 -146.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.597 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -54.7 -46.14 76.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.22 135.07 52.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLY . 59.3 p -60.03 -28.77 68.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -36.11 -90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 4.5 tt0 -165.73 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 0.717 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.636 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.4 OUTLIER -168.36 22.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -47.97 72.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -61.36 -47.48 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.832 ' O ' HG11 ' A' ' 77' ' ' VAL . 5.1 t90 -62.15 -49.8 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.84 -52.91 1.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.57 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.851 ' CG2' ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -68.04 -56.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.638 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.79 -54.74 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.794 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.39 -47.79 63.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.768 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.6 tm? -53.98 -44.77 71.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.632 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.08 -23.03 63.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.36 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.626 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.04 -52.53 55.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.8 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.3 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 1.0 ' O ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 5.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 0.813 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.661 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -91.42 -51.96 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.131 HG13 ' HA ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -44.1 -30.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.077 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.819 ' O ' ' N ' ' A' ' 11' ' ' ALA . 12.0 p -67.48 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.712 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.5 -41.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -67.04 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.838 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.75 -46.15 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.055 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.272 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.47 -21.29 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.579 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 53.8 t -73.8 -63.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.687 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.72 -45.68 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.6 m -59.99 -26.84 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.272 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -72.99 -74.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.684 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.87 40.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.259 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.83 3.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -34.76 155.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.533 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER 69.02 7.98 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.2 m -81.37 147.67 60.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER 165.46 115.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -139.9 -113.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -90.86 22.89 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.19 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' CG2' ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.11 -32.67 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.49 -77.08 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.15 -48.3 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.562 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -39.72 -49.38 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.1 -57.22 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.055 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -52.0 -37.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.4 -67.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.817 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -68.18 -47.03 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.849 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.9 tm0? -69.36 1.15 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.055 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.89 25.95 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.732 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.95 9.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.24 36.59 50.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' CD2' HD11 ' A' ' 33' ' ' LEU . 6.5 mp -124.18 33.51 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 ' CD2' ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.72 97.11 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.44 159.81 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.597 ' CG ' HG13 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.02 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 1.131 ' HA ' HG13 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.95 -16.78 53.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.1 t70 -46.05 -22.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.874 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.83 -32.61 27.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.901 ' CD1' HG12 ' A' ' 4' ' ' VAL . 8.8 m-30 -55.83 -11.25 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.5 t -138.71 131.08 15.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.54 42.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 43.72 93.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.54 7.29 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.774 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 34.3 m95 -96.15 -2.49 46.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.95 -24.17 0.53 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -35.27 3.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.737 ' CD1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.49 -20.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.776 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 1.2 m -70.52 -51.94 25.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.28 -15.35 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.4 -67.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.776 ' CD1' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -52.48 -40.17 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.62 ' N ' HD23 ' A' ' 58' ' ' LEU . 8.5 t -67.49 -37.51 82.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.47 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.67 54.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -76.44 1.21 17.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -6.39 49.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 65' ' ' LEU . 4.5 mt -98.67 -14.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.538 ' HB2' ' CA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -129.17 144.19 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.776 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 92.25 -26.94 11.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -117.5 -64.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 0.63 56.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -144.59 -106.7 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.618 ' N ' ' H ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER 176.77 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.351 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.776 ' H ' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -50.45 -21.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -45.01 -41.65 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.609 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -58.99 -43.37 91.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.731 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 7.3 t90 -54.53 -51.16 66.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.82 -51.61 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.12 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.743 ' CG1' ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.97 -57.71 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.735 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.27 -58.84 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.2 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.4 -52.28 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.9 tp -50.99 -44.09 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.537 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.3 -24.68 62.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.59 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.47 -50.72 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.65 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.24 -36.91 20.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.672 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -55.68 2.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.812 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.72 -34.94 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.752 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.79 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.036 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.66 -44.72 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.746 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.6 mmtp -46.07 -39.46 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -73.88 -65.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.709 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 4.2 tp -43.44 -40.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.671 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.056 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.62 28.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.17 -22.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 9' ' ' SER . 1.3 t -72.32 -65.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.2 -43.26 8.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.21 -73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.5 t -104.96 46.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.351 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.01 -29.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 26.4 45.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLY . 86.9 m -159.05 20.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 19' ' ' THR . 74.1 m -34.97 93.97 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.0 Cg_endo -75.14 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 25' ' ' GLU . 0.2 OUTLIER 175.48 -59.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' GLU . 11.3 mmtt -80.44 161.71 24.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm 68.33 -64.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' OE1' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 110.207 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.502 ' CD1' ' OE1' ' A' ' 25' ' ' GLU . 44.0 mt -53.67 -32.44 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.68 -77.46 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.94 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.87 -45.05 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.671 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -41.66 -53.13 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.741 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.19 -55.27 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.02 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.0 -47.74 82.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.605 1.191 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.94 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.22 -64.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.375 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD11 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.16 -55.52 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.741 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.87 4.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.02 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.4 tmtt? -140.8 27.5 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.221 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.763 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 16.9 mt-10 -144.72 8.15 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 106.35 33.03 3.51 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 33' ' ' LEU . 2.2 mm? -131.55 49.5 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 ' CG ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.23 32.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.702 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.22 22.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 111.03 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.86 143.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.671 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.573 1.828 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.751 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.74 -18.3 65.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.6 t70 -33.79 -39.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.752 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -50.2 -32.59 16.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.751 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.0 m-30 -55.7 -4.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.12 149.41 41.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.2 Cg_endo -75.08 118.74 5.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 49.09 7.13 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.61 -0.27 52.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 0.811 . . . . 0.0 110.038 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.663 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 52.9 m95 -97.31 -7.79 31.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 108.084 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.2 -26.43 0.54 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -34.6 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.691 ' O ' ' OE2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -79.33 -24.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.643 ' OG1' ' CD1' ' A' ' 78' ' ' LEU . 1.3 m -65.63 -56.37 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 1.045 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.91 -12.69 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.94 -76.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.763 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -54.06 -37.81 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.561 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.9 mm-40 -71.37 -18.12 62.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -155.16 61.84 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.735 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -81.6 0.18 39.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 mtm -78.32 -6.42 55.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 61' ' ' ARG . 1.2 pt -101.15 -14.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -131.01 143.89 51.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.802 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 90.38 -27.26 8.74 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.32 -46.56 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -108.53 -16.3 14.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -128.21 -101.85 1.09 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.607 ' N ' ' H ' ' A' ' 66' ' ' GLY . 1.5 tp10 178.08 73.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.802 ' H ' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -58.25 -21.09 47.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.25 -45.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.395 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -42.23 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.7 ' NE1' ' CD1' ' A' ' 58' ' ' LEU . 4.7 t90 -57.24 -48.7 78.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.59 -51.43 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.19 -37.85 86.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.891 HG12 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.59 -56.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' CB ' ' CE2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -73.71 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.31 -32.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.859 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.57 -50.25 53.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -51.82 -44.07 63.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.64 -23.02 62.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.36 -34.71 70.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.94 -48.85 74.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.16 65.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.88 -32.79 59.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.67 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' C ' HD11 ' A' ' 5' ' ' ILE . 7.1 tp10 64.82 -19.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 0.803 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.689 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -88.22 -46.39 9.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.946 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.96 -28.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.137 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.58 -70.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.47 -22.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 1.055 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.893 ' O ' ' N ' ' A' ' 11' ' ' ALA . 13.9 p -65.85 -71.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.79 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 3.0 tp -44.45 -44.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.624 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.73 -64.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.653 1.22 . . . . 0.0 109.922 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.36 -48.4 67.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.102 . . . . 0.0 109.919 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.306 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.09 -23.23 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 9' ' ' SER . 19.4 t -71.85 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 108.354 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -96.92 -44.05 7.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.95 -30.77 70.43 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.306 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.3 -73.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.834 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.6 t -108.12 46.08 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.593 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.88 -26.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.535 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt 66.21 -68.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -150.75 -43.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.4 m -34.3 110.73 0.39 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.059 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 178.25 7.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.574 1.829 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 43.9 t 179.83 -78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' SER . 2.0 mptp? -145.36 -47.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HD3' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -42.52 -91.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 68.86 176.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.67 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.92 -57.93 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.908 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -52.42 -50.24 62.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.626 ' HG3' HG21 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.01 -44.11 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.975 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.43 -65.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.007 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 25.3 m -52.25 -34.58 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.908 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -71.14 -66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.79 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.67 -47.23 55.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.852 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.08 0.38 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.007 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.78 28.03 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.19 7.05 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . 101.4 34.14 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 1.7 mm? -133.17 49.51 2.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.49 8.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.86 11.48 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.653 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.02 177.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.973 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HD2' ' OG ' ' A' ' 41' ' ' SER . 18.5 Cg_endo -74.99 17.59 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.824 ' HA ' HG23 ' A' ' 4' ' ' VAL . 8.2 t -68.4 -23.25 64.63 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.433 1.083 . . . . 0.0 110.181 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.2 -31.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.946 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.67 -34.62 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.785 ' CD1' HG22 ' A' ' 4' ' ' VAL . 11.2 m-30 -55.2 -12.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -134.58 128.76 19.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.928 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.12 24.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.88 58.1 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.65 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.43 14.27 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.796 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.833 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 21.3 m95 -97.38 -0.73 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 107.936 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.2 -19.82 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.38 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.05 -40.9 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.672 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.35 -18.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.63 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.66 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.71 -13.05 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.398 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.35 -71.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.912 ' CD1' ' CD1' ' A' ' 74' ' ' TRP . 1.4 mp -59.57 -41.97 91.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -34.55 65.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.57 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 12.5 mtt-85 -154.48 66.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -76.43 0.17 20.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -11.09 51.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 1.195 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 61' ' ' ARG . 5.2 pt -103.28 18.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.665 ' CD1' ' CD2' ' A' ' 58' ' ' LEU . 1.2 tp -109.21 -132.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' H ' ' CG ' ' A' ' 65' ' ' LEU . . . 102.6 63.77 0.72 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.05 -0.88 13.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -178.66 36.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.88 -101.75 0.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.58 1.175 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.461 ' O ' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -106.37 -66.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.706 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp -146.68 19.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.72 -44.89 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 77' ' ' VAL . 1.2 m -58.75 -43.44 90.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.912 ' CD1' ' CD1' ' A' ' 58' ' ' LEU . 22.8 t90 -56.33 -39.23 72.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.25 -46.76 56.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.77 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.11 -57.75 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.64 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.21 -60.11 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.37 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.897 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.58 -47.81 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.224 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.2 tp -51.6 -44.27 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.594 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.06 -24.51 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.82 73.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.574 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.35 -48.71 80.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -20.87 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.7 -46.86 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.816 ' N ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 -88.17 -34.75 17.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -66.24 -40.2 90.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.816 ' CG2' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -47.36 -50.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.084 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.72 -43.29 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.41 -37.4 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.773 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -67.31 -59.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.71 HD12 ' CZ2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -51.69 -41.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.716 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.14 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.18 -49.37 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.977 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.995 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.53 -60.45 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.532 ' C ' ' O ' ' A' ' 11' ' ' ALA . 36.3 t -32.13 -50.89 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 108.363 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.4 m -50.1 -37.4 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.381 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.995 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -58.85 -73.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.804 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.8 t -108.3 46.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.54 -24.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER 63.66 -75.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -143.04 -43.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.588 ' C ' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -21.78 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -179.66 5.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.411 1.743 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 161.7 -67.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 22' ' ' SER . 0.9 OUTLIER 160.34 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.408 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER 70.98 4.68 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -72.22 -93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.9 mt -50.59 -33.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.72 -55.04 19.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.873 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -51.57 -56.04 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.716 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -35.02 -40.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.82 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.27 -74.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.59 -30.84 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.873 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.649 1.218 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -74.69 -48.33 26.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.28 2.28 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.597 1.186 . . . . 0.0 110.345 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.82 26.45 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.757 ' HE2' ' N ' ' A' ' 58' ' ' LEU . 9.0 mm-40 -140.53 5.82 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.8 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.654 ' CD2' HD11 ' A' ' 33' ' ' LEU . 4.6 mp -141.6 43.42 1.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.76 9.17 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.309 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.09 11.65 27.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 111.116 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.66 105.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.7 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -8.03 19.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.79 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.19 -10.63 55.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.09 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.794 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -52.09 -36.05 49.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.744 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 6.4 m-30 -61.67 -7.65 3.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -118.7 144.38 35.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.43 64.46 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.67 -18.15 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.71 ' CZ2' HD12 ' A' ' 8' ' ' ILE . 87.0 m95 -96.44 -22.71 16.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.869 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.84 -28.45 0.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.869 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.8 Cg_endo -75.06 -31.84 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.696 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -76.58 -24.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.568 ' OG1' HD22 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.0 -56.32 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.16 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 36' ' ' GLU . . . -63.13 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.39 -38.44 53.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.954 ' N ' HD23 ' A' ' 58' ' ' LEU . 5.7 t -59.35 -36.18 75.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.54 -21.93 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.23 70.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -75.56 -21.61 57.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.4 ttm -76.99 2.04 16.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -145.42 51.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' CD1' ' OE1' ' A' ' 36' ' ' GLU . 6.6 tt -103.13 179.28 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' CA ' ' HD2' ' A' ' 35' ' ' LYS . . . -86.45 26.16 6.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -119.32 -43.95 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t 73.95 -54.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.13 -63.55 1.29 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.388 1.055 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -172.9 -72.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 0.752 . . . . 0.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.689 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -178.9 31.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -66.2 -45.7 79.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 24' ' ' LYS . 1.3 p -59.8 -46.66 88.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.896 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 67.8 t90 -57.37 -27.37 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 108.007 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.47 -61.25 6.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.417 1.073 . . . . 0.0 111.033 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.1 tt -60.9 -44.12 97.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.87 HG13 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.17 -58.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.896 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.63 -59.26 2.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.09 -31.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.064 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.838 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -70.68 -48.06 56.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.724 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 3.6 tp -52.84 -44.17 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.54 ' CE ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.01 -24.12 63.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.32 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.59 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.33 -49.71 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -16.18 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.21 -44.02 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.634 ' CA ' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.711 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 67.19 -50.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.346 0.674 . . . . 0.0 110.262 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.71 ' O ' ' HB ' ' A' ' 7' ' ' VAL . . . -68.75 -44.4 73.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.818 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.62 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.094 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.72 -47.74 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.52 -34.44 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.76 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.37 1.044 . . . . 0.0 109.382 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.853 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 4.4 mt -49.75 -40.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.787 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.96 -68.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.184 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -53.88 24.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 8' ' ' ILE . 35.8 t -36.78 -55.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.221 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.771 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.81 -59.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.36 -31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.184 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -71.44 -80.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.856 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.86 48.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.15 -14.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.771 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 58.46 -172.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.516 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 1.8 m -62.28 -47.59 83.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' THR . 42.8 t -37.83 103.47 0.26 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.87 179.38 6.1 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.617 1.851 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 154.45 49.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 12.2 mptt 68.7 157.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? 80.51 -50.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.55 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.15 -37.73 47.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.224 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.75 -77.22 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.416 1.072 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.0 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -47.13 -40.02 14.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.604 0.826 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.787 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.4 -54.11 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.13 -50.39 4.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.212 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.0 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.0 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.81 -69.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.853 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 3.2 mm? -70.3 -47.41 61.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.176 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.29 5.81 5.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.594 1.184 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.212 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.84 31.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.58 -4.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' C ' HD11 ' A' ' 38' ' ' LEU . . . 118.74 28.24 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 5.0 mp -131.89 43.15 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.41 13.18 27.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.627 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.42 8.15 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.9 p 148.55 110.51 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -6.49 17.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.756 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.33 -12.81 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.997 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.6 t0 -35.47 -35.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.818 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -51.05 -34.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.692 ' CE2' ' OG ' ' A' ' 43' ' ' SER . 3.5 m-30 -56.95 -12.84 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -100.54 144.89 29.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.054 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.63 58.61 1.18 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.22 0.71 57.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.685 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 78.7 m95 -98.63 -17.0 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.906 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.33 0.47 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.906 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -39.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.834 ' CG1' ' HG2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -72.29 -21.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.23 -59.59 5.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLN . . . -80.19 -14.96 58.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -54.19 -68.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.751 HD22 ' CD1' ' A' ' 65' ' ' LEU . 3.0 mp -64.58 -43.89 92.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.19 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.72 -32.54 67.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' NE ' HD12 ' A' ' 64' ' ' ILE . 3.1 mmm180 -149.9 63.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -71.26 -5.61 33.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 mmm -94.52 10.64 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -102.57 -10.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.751 ' CD1' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.73 -158.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.5 81.65 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 30.35 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t 177.22 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.85 -98.5 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 -73.92 0.67 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 ' CD2' ' A' ' 74' ' ' TRP . 1.2 tp -138.33 23.51 2.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.84 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.43 -44.21 89.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.68 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 32.6 t90 -53.67 -31.22 46.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.727 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.28 -50.39 68.19 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.628 1.205 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.856 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.52 -44.7 95.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.68 ' CG2' ' HA ' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.34 -59.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.63 ' CD1' ' CE ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -66.64 -58.19 5.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.727 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.84 -31.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.831 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -71.5 -48.46 48.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.642 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.8 tp -52.54 -44.29 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.79 -23.39 63.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.69 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.561 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -63.44 -50.07 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.68 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.63 -34.85 46.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' HD11 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -55.54 -10.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.184 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.751 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.78 -37.46 17.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.015 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.71 -28.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.093 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.44 -66.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.84 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.785 HG13 ' HA ' ' A' ' 4' ' ' VAL . 7.2 p -66.3 -73.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.731 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.78 -39.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.648 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.84 -70.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -54.66 -45.08 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.85 -57.8 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 28.6 t -33.69 -51.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.87 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.3 m -47.08 -33.6 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.33 -72.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.61 ' N ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.33 -50.6 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' A' ' 21' ' ' PRO . . . -60.37 -12.81 26.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.93 -172.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' ' CG2' ' A' ' 19' ' ' THR . 1.0 OUTLIER -107.06 13.14 27.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -86.24 -63.1 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.96 -175.61 2.44 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.564 1.823 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 11.1 t -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -73.26 124.92 26.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER 35.15 50.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.23 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.6 mt -50.83 -31.97 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.4 -64.28 3.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.156 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.58 -46.39 39.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.648 ' CB ' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -46.23 -53.42 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.9 mt -81.1 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.8 m -50.74 -27.7 7.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.156 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.71 -68.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.731 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.87 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.789 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.45 -1.65 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.741 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.8 mm-40 -133.06 4.86 3.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.52 21.08 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.01 28.69 7.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.37 0.688 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.549 ' CG ' ' HB3' ' A' ' 33' ' ' LEU . 1.5 tm? -110.93 152.73 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.432 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.06 -21.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.29 169.17 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.744 ' HB2' HG11 ' A' ' 4' ' ' VAL . 18.6 Cg_endo -74.92 21.5 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.387 1.73 . . . . 0.0 111.053 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.73 ' HA ' HG23 ' A' ' 4' ' ' VAL . 26.6 t -70.5 -19.79 62.9 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.84 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.015 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.51 -34.13 18.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.855 ' CD1' HG22 ' A' ' 4' ' ' VAL . 9.9 m-30 -54.72 -13.37 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.21 133.18 8.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.603 1.844 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.42 68.08 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.659 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.34 11.32 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 0.725 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.892 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 22.7 m95 -95.68 -1.75 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 108.035 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.936 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.64 -20.98 0.43 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.388 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.936 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.9 Cg_endo -75.15 -44.42 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.697 ' CD1' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.22 -22.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.52 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -61.02 -57.24 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.12 -13.31 59.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.741 ' HG ' ' CG ' ' A' ' 36' ' ' GLU . 1.9 mp -57.47 -44.4 84.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.26 -36.99 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.03 -24.37 60.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.07 67.9 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.42 -19.92 65.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -72.53 -0.96 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 64' ' ' ILE . 2.7 mp -125.0 37.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.767 ' HG ' ' N ' ' A' ' 66' ' ' GLY . 1.5 tp -104.87 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.767 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -44.66 -45.84 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -118.57 143.01 47.06 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.508 0.77 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 p -74.04 -6.44 47.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.07 -93.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.587 ' O ' HD11 ' A' ' 71' ' ' LEU . 2.2 tt0 -146.38 -72.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.35 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.689 ' HG ' ' CB ' ' A' ' 74' ' ' TRP . 2.2 tp 174.57 39.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -55.99 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.568 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -52.85 -41.46 64.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.775 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 39.0 t90 -58.9 -30.08 67.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.82 -53.9 39.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -65.17 -48.33 73.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 0.0 109.383 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.775 ' CG1' ' HA ' ' A' ' 74' ' ' TRP . 7.7 p -63.92 -56.11 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.733 ' HG ' ' CE2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -69.66 -58.02 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.4 -28.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . . . -65.42 -47.75 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.205 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.723 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -51.82 -43.31 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.76 -24.66 66.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -15.61 61.42 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.34 -59.27 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' HA3' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.805 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 66.12 -44.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 45' ' ' LEU . . . -61.59 -43.55 98.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.839 HG11 ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -42.19 -50.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.53 -41.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.805 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.07 -39.51 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.787 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -66.99 -62.17 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.67 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.54 -44.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.403 1.065 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.59 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 43.8 t -69.13 -66.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.28 -48.26 79.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.146 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.46 -62.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ALA . 49.4 t -33.54 -47.7 0.24 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 108.333 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.53 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.86 -27.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.146 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -75.41 -87.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -111.55 -33.82 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -66.76 -3.92 23.83 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -33.03 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 0.817 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.818 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -63.05 33.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 110.381 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.695 ' H ' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -22.56 -49.18 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.818 ' HD2' ' C ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.791 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.3 t -114.96 -26.9 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 81.27 148.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER 80.62 14.28 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 23' ' ' LYS . 10.9 mp0 -76.35 -83.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.65 -45.79 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.07 33.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.856 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -54.75 -54.51 41.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.59 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -36.25 -42.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.835 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -91.91 -71.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.996 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.71 -34.46 18.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.856 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.68 -67.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' ' CD1' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.2 -49.59 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.56 0.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.996 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.57 2.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.703 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 2.9 mm-40 -140.51 6.99 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 22.0 6.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.399 1.062 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.07 39.37 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.13 4.98 25.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.716 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.51 11.21 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.716 ' CB ' ' O ' ' A' ' 40' ' ' MET . 26.0 t 136.74 118.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 110.038 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.97 -2.28 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.788 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.09 -14.44 62.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.0 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.755 ' CG ' ' HA ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -60.89 -32.94 72.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.839 ' CD1' HG11 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.5 -11.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -119.36 148.57 45.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.29 63.97 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.77 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.27 -15.88 14.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 0.0 110.091 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.658 ' HZ2' ' HB2' ' A' ' 11' ' ' ALA . 86.0 m95 -96.83 -16.64 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.858 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.48 -28.24 0.5 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.858 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -74.98 -34.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.398 1.736 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.69 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -73.58 -22.81 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.586 ' HA ' ' HE1' ' A' ' 74' ' ' TRP . 0.8 OUTLIER -65.0 -60.7 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 55' ' ' THR . . . -73.62 -11.69 60.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.703 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -60.88 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.875 HD12 ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -52.87 -42.06 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.615 ' N ' ' CD2' ' A' ' 58' ' ' LEU . 5.2 t -53.04 -36.5 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 60' ' ' GLN . 2.0 tp-100 -73.45 -21.61 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.58 70.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.11 -11.65 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -8.83 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.43 57.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -97.43 -129.4 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.62 ' H ' ' CD2' ' A' ' 65' ' ' LEU . . . -85.48 -71.31 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.591 1.182 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -170.89 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 0.807 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -77.37 -12.07 59.91 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.397 1.06 . . . . 0.0 109.946 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 68' ' ' SER . . . -37.09 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 6.4 tt0 -174.26 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.683 ' CD2' ' CD1' ' A' ' 65' ' ' LEU . 14.9 mt -158.97 22.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.91 -46.26 91.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.875 ' CE2' HD12 ' A' ' 58' ' ' LEU . 49.4 t90 -59.2 -37.8 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.19 -47.54 41.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.5 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.755 HG22 ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.18 -57.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.755 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.08 -60.84 2.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.74 -29.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.794 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . . . -73.48 -49.71 25.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 0.813 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.671 ' HA ' ' OH ' ' A' ' 15' ' ' TYR . 3.1 tp -53.85 -44.0 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.648 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.82 -24.09 62.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . -69.88 -34.83 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.574 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.1 -50.68 65.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.71 -27.95 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 12.19 35.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' C ' HD11 ' A' ' 5' ' ' ILE . 2.0 mm-40 -56.6 -8.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.701 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -86.59 -39.31 16.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.83 -26.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.102 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.09 -68.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.73 -22.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.827 ' O ' ' N ' ' A' ' 11' ' ' ALA . 8.5 p -65.38 -70.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.657 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.93 -45.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.879 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.28 -52.63 62.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.274 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.8 -21.61 7.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.852 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.26 -59.73 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.84 -45.09 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.879 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.88 -30.4 71.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.274 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.48 -69.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.02 -48.62 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 108.284 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -60.46 -20.19 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt 27.83 -87.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.365 0.685 . . . . 0.0 109.245 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 17' ' ' GLY . 30.1 m -34.88 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 23.3 t -32.85 107.56 0.28 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.093 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -44.17 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.78 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 171.06 59.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 5.6 mtmp? -142.92 110.79 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.1 mmtm 89.21 -31.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.1 tt0 -43.37 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.6 mt -52.73 -33.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.81 -77.1 0.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.97 ' O ' ' CB ' ' A' ' 32' ' ' LEU . . . -48.06 -40.3 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.665 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.3 -54.3 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.94 -51.28 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.615 1.197 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.69 -34.09 64.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.97 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.98 -66.27 0.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.73 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -72.49 -47.98 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.96 -1.47 5.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.73 25.05 3.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.681 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.45 5.09 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 38.09 20.57 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.659 HD13 ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.23 44.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.374 0.691 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.38 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.82 -29.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.16 163.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.926 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.621 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.05 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.802 ' HA ' HG23 ' A' ' 4' ' ' VAL . 4.0 m -71.93 -19.5 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.485 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.98 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.026 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.7 -34.64 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.39 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.828 ' CD1' ' CG2' ' A' ' 4' ' ' VAL . 15.3 m-30 -55.06 -14.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.27 122.99 10.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.056 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.26 15.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.411 1.743 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.46 53.01 2.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.419 1.074 . . . . 0.0 111.089 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.643 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.52 12.51 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.887 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.36 -0.78 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.071 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.98 -20.43 0.39 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.929 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.5 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.579 1.831 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.29 -25.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.553 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -66.55 -51.44 56.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -15.11 61.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -65.56 -74.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.68 -34.36 11.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 109.379 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.777 ' N ' HD23 ' A' ' 58' ' ' LEU . 13.6 t -61.17 -35.73 77.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -67.56 -30.6 70.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 1.3 mtt85 -155.04 62.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.626 1.204 . . . . 0.0 110.28 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.725 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -66.56 -38.97 88.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.3 mtt -72.62 -9.44 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.5 64.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -104.32 -146.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.598 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -54.7 -46.12 76.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.0 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLY . 59.4 p -59.98 -28.81 67.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -36.08 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 4.5 tt0 -165.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 110.302 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.637 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.4 OUTLIER -168.35 22.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -48.01 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -61.37 -47.55 85.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.83 ' O ' HG11 ' A' ' 77' ' ' VAL . 5.2 t90 -62.15 -49.72 74.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 108.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.83 -52.94 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.59 80.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.852 ' CG2' ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -67.94 -57.01 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.637 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.78 -54.67 10.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.794 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -69.42 -47.81 62.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.769 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 1.6 tm? -53.94 -44.73 70.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.633 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.14 -23.11 62.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.36 75.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -65.02 -52.48 55.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.85 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -65.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 1.0 ' O ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 5.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.661 ' C ' HD11 ' A' ' 45' ' ' LEU . . . -91.36 -52.02 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.131 HG13 ' HA ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -44.02 -30.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 1.076 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.714 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.817 ' O ' ' N ' ' A' ' 11' ' ' ALA . 11.8 p -67.53 -72.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.712 ' H ' ' CG1' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.43 -41.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.226 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -66.97 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.839 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.78 -46.2 83.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 1.271 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.4 -21.29 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.579 ' SG ' ' CB ' ' A' ' 28' ' ' ALA . 53.8 t -73.79 -63.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.406 1.066 . . . . 0.0 108.231 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.688 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.62 -45.75 7.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.839 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.7 m -60.08 -26.74 66.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.271 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -72.92 -74.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.86 40.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.688 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.87 3.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -34.64 155.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER 69.01 7.98 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.3 m -81.29 147.68 61.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -75.04 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER 165.49 115.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -139.82 -113.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.61 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -90.83 22.79 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.529 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' O ' ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.19 -32.65 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.53 -77.07 0.13 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.22 -48.17 54.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.561 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -39.77 -49.32 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.072 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -57.15 2.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 1.056 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -51.93 -37.23 51.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.33 -67.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.611 1.195 . . . . 0.0 109.356 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.817 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -68.17 -47.02 69.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.849 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.0 tm0? -69.24 1.04 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.056 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.86 25.92 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.731 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.9 9.76 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.25 36.54 50.35 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.432 1.083 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' CD2' HD11 ' A' ' 33' ' ' LEU . 6.6 mp -124.16 33.57 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.384 0.697 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.479 ' CD2' ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.75 97.1 7.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.4 159.8 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.597 ' CG ' HG13 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.0 0.88 8.37 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 1.131 ' HA ' HG13 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.91 -16.83 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.0 t70 -45.99 -22.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.874 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.77 -32.74 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.902 ' CD1' HG12 ' A' ' 4' ' ' VAL . 8.8 m-30 -55.8 -11.32 0.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.6 t -138.7 131.05 15.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.94 43.73 93.1 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.564 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.6 7.3 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.909 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.774 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 34.5 m95 -96.12 -2.44 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -24.13 0.52 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.98 -35.25 3.27 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.595 1.839 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.737 ' CD1' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.54 -20.65 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.083 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.777 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 1.2 m -70.61 -51.86 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.32 -15.35 60.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.46 -67.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.777 ' CD1' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -52.47 -40.25 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.62 ' N ' HD23 ' A' ' 58' ' ' LEU . 8.5 t -67.45 -37.49 83.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.44 -31.58 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.71 54.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.67 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -76.38 1.18 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -6.42 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 65' ' ' LEU . 4.5 mt -98.8 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.25 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' HB2' ' CA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -129.23 144.23 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.777 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 92.15 -26.93 11.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -117.48 -64.44 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.95 0.64 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -144.61 -106.57 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.417 1.073 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.618 ' N ' ' H ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER 176.71 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.205 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.777 ' H ' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -50.47 -21.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -45.06 -41.72 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -58.92 -43.32 91.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.731 ' CZ2' ' HG ' ' A' ' 78' ' ' LEU . 7.2 t90 -54.49 -51.25 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.81 -51.52 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.09 -40.89 97.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.396 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.743 ' CG1' ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.85 -57.8 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.736 ' N ' HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.2 -58.86 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.25 -27.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' ' CG ' ' A' ' 15' ' ' TYR . . . -68.46 -52.25 34.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 2.0 tp -50.98 -44.07 60.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.606 1.191 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.537 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.4 -24.56 62.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.2 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.592 ' CB ' ' OH ' ' A' ' 15' ' ' TYR . . . -64.29 -50.84 66.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.62 66.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -85.23 -37.0 20.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.919 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -84.89 -40.89 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.033 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -40.56 -34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.214 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.35 -55.36 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER -52.39 -42.06 63.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -60.32 -64.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.048 HD11 ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp -44.36 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -72.61 -65.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 1.024 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -59.16 -53.14 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.269 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -44.14 -54.8 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.056 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 45.0 t -40.3 -58.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.653 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -93.72 -57.1 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.024 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.5 m -49.76 -30.87 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.269 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -69.7 -76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.76 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.2 t -111.4 47.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -164.76 -18.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.837 ' HD3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.515 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 36.1 tt0 -47.98 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mt -54.48 -33.37 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.76 -82.01 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.056 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -50.54 -46.48 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.649 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -40.02 -47.4 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.839 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -95.01 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.946 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.5 m -55.82 -42.35 75.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.053 HD12 ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -63.22 -62.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.048 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -68.38 -47.74 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.3 tt0 -68.88 3.01 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.946 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.7 ttmt -136.34 21.91 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.698 ' CB ' HG12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -136.96 8.55 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.692 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 96.8 27.15 9.83 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.888 HD23 HG13 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -121.48 50.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -91.06 17.14 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.3 tpp -91.61 10.21 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 40' ' ' MET . 1.2 p 94.1 177.75 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.896 ' HG3' HG23 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.99 18.41 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.73 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 1.2 m -68.88 -23.21 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.2 OUTLIER -39.18 -40.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.033 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 1.2 tt -61.61 -33.39 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 1.012 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.8 m-30 -56.12 -4.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' LEU . 13.7 t -127.69 137.23 30.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.98 128.88 11.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.63 46.05 86.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -96.57 15.21 22.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.98 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.938 ' HB2' HD13 ' A' ' 81' ' ' LEU . 28.9 m95 -95.85 -3.46 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.924 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.18 -23.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.924 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.99 -34.47 3.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.053 ' CD1' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.23 -18.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.836 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -72.59 -53.52 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -12.85 61.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.667 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -66.93 -71.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.124 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.37 -36.63 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.124 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.83 -36.99 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -21.2 63.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -164.41 66.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 1.015 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.079 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.71 ' O ' HD22 ' A' ' 76' ' ' LEU . 6.5 mmtt -51.79 -46.08 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.914 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.0 m -58.71 -46.0 88.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.855 ' CE3' HD23 ' A' ' 71' ' ' LEU . 3.6 t90 -59.27 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.94 -49.42 2.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.09 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.837 HD23 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -65.07 -41.1 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.977 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -69.53 -56.83 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.836 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -31.27 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.265 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.33 -47.46 64.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.938 HD13 ' HB2' ' A' ' 51' ' ' TRP . 2.0 tp -51.62 -43.51 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.72 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.14 -24.29 64.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.11 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.88 -44.99 91.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.41 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -77.63 -23.6 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.758 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.39 -39.77 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.016 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.75 -29.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.224 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.42 -67.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 10' ' ' SER . 86.1 tttt -49.31 -21.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 45' ' ' LEU . 12.3 p -67.64 -70.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.004 HD11 ' HG ' ' A' ' 33' ' ' LEU . 5.5 tp -45.95 -48.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.603 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 77.3 p -60.77 -61.61 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.857 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -68.43 -52.58 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.366 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.61 -20.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -73.25 -63.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -97.02 -41.41 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.857 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -64.54 -29.28 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.366 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -60.61 -70.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.7 -47.65 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.334 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -62.16 -15.56 50.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.66 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -47.22 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' MET . 3.3 mt -51.38 -33.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.69 -60.84 5.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.071 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -50.18 -53.52 27.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.626 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.38 -43.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.837 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -95.23 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.987 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 69.1 m -52.72 -34.72 53.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.071 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -68.19 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.004 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.79 -45.02 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.837 ' N ' ' O ' ' A' ' 30' ' ' LEU . 10.3 tt0 -70.57 0.87 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.987 ' CB ' ' O ' ' A' ' 31' ' ' SER . 4.9 ttmm -139.39 26.14 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.764 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 4.8 mm-40 -140.08 7.7 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 95.62 27.4 10.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -123.2 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -94.45 24.65 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.09 4.17 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.1 p 99.81 174.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 17.46 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.4 t -67.86 -25.28 65.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' SER . 5.3 t70 -33.55 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.016 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -71.58 -35.91 70.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.966 ' CD1' HG21 ' A' ' 4' ' ' VAL . 13.7 m-30 -54.7 -10.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' LEU . 19.1 t -138.14 129.87 15.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.14 17.38 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.38 56.69 4.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -123.24 11.94 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 11.3 m95 -95.4 -2.1 49.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.919 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.12 -20.95 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.919 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.0 -35.44 3.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.95 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -75.79 -26.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.821 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.1 m -67.05 -52.59 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.84 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.764 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -64.67 -75.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.181 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.46 -35.72 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.059 ' N ' HD22 ' A' ' 58' ' ' LEU . 3.1 t -62.91 -37.88 88.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.87 -24.91 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.181 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -40.44 -41.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.66 HG21 ' HB3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.73 -48.61 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.155 ' CE3' HD23 ' A' ' 71' ' ' LEU . 2.0 t90 -62.86 -33.34 75.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.11 -52.78 25.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -66.64 -41.05 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -65.51 -57.26 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.866 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.71 -58.09 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.81 -30.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.157 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.54 -47.95 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.8 tm? -52.52 -44.72 65.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.785 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.36 -23.41 63.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.01 -35.8 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.65 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.45 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -20.14 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -13.54 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.586 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.844 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -85.45 -37.63 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.041 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.19 -27.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.168 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.17 -66.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -50.57 -20.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.956 HG11 ' HB2' ' A' ' 45' ' ' LEU . 9.5 p -65.99 -70.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.029 HG23 ' HG3' ' A' ' 29' ' ' MET . 3.9 tp -42.45 -45.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.22 -64.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.762 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -65.09 -49.41 70.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.262 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.48 -20.62 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.014 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 7.5 t -73.93 -60.57 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.973 ' NZ ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.5 -50.28 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.762 ' N ' ' O ' ' A' ' 10' ' ' SER . 91.4 m -56.35 -30.38 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -69.58 -70.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -105.21 46.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.557 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -166.62 -27.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' GLY . 1.1 mptm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.7 tt0 -46.58 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.8 mp -53.17 -32.2 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -52.1 -67.46 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.014 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -47.96 -47.43 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.029 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.7 -53.25 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.928 HD13 ' SD ' ' A' ' 29' ' ' MET . 1.1 tp -86.5 -53.77 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.167 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -63.66 -54.13 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.055 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -47.74 -56.92 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.92 -57.93 3.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.752 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tm0? -71.69 11.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.2 tmtt? -138.55 20.52 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 46.3 mt-10 -136.37 5.87 3.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.62 27.44 73.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -137.79 43.93 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -112.84 133.42 54.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.53 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.9 ttt -144.58 -26.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.1 OUTLIER 158.08 162.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.875 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 19.67 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 46' ' ' TYR . 3.6 m -73.57 -18.35 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 5.6 t70 -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.041 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -79.14 -33.65 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 1.009 ' CD1' HG21 ' A' ' 4' ' ' VAL . 14.2 m-30 -56.87 -12.93 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.6 t -146.51 125.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.17 17.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.76 51.65 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.666 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.85 15.73 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.952 ' CB ' HD22 ' A' ' 81' ' ' LEU . 26.2 m95 -96.71 -1.15 47.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.945 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t70 -77.65 -19.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.945 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -74.99 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.01 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.37 -20.75 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.909 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.3 m -66.02 -49.64 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.53 -13.98 60.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 36' ' ' GLU . . . -65.31 -72.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.128 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.93 -38.54 56.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.128 ' N ' HD22 ' A' ' 58' ' ' LEU . 4.7 t -58.58 -36.88 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.94 -23.8 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.12 66.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 1.042 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.046 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.04 -45.81 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' HD3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.89 -46.37 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.977 ' CE3' HD23 ' A' ' 71' ' ' LEU . 1.3 t90 -60.57 -45.83 92.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.69 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -40.75 -49.54 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.973 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -63.53 -42.17 98.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.055 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.83 -57.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.909 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.83 -58.8 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.46 -27.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -67.71 -52.58 35.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.952 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.8 tp -50.28 -43.72 53.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.685 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.78 -25.3 62.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.45 -36.59 76.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -62.86 -47.33 83.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -73.17 -19.24 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.55 -21.98 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.731 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.89 -44.06 97.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.979 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.71 -53.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.067 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.49 -39.07 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.71 ' HB3' ' HA ' ' A' ' 3' ' ' ALA . 4.3 ttmm -52.05 -41.12 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -71.08 -64.89 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -41.35 -45.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.591 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.0 t -66.06 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -64.24 -46.38 84.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.299 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.34 -24.72 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG23 ' A' ' 77' ' ' VAL . 47.4 t -73.5 -58.14 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.784 ' O ' ' N ' ' A' ' 18' ' ' LYS . 4.9 ttpm? -93.89 -53.33 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.832 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.6 m -54.52 -29.89 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.299 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -68.7 -74.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.04 -47.3 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -55.07 -18.33 12.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.784 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.0 tttt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 73' ' ' THR . 3.1 mttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 5.7 mp0 -73.13 -76.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.5 mm -49.47 -39.56 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.13 -42.2 61.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.878 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -56.24 -53.83 52.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.889 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -37.01 -45.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.889 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -85.16 -71.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.015 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -55.56 -47.88 75.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -51.66 -59.34 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.011 ' CD1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.78 -52.28 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.849 ' OE1' HD23 ' A' ' 30' ' ' LEU . 27.9 mt-30 -67.86 4.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.015 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.0 tptt -138.97 23.65 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.705 ' CD ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -141.56 7.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.48 41.89 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.011 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.7 mp -141.43 46.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 34' ' ' GLN . 2.6 tp -112.33 12.58 20.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.65 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -102.09 1.95 36.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.9 m 145.93 120.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -74.99 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.843 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.77 -12.95 61.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' SER . 19.1 t70 -37.17 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -55.51 -35.38 65.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.757 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.6 m-30 -55.05 -12.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -95.98 147.44 32.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 107.92 2.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 87.48 69.0 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.793 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -100.27 -4.95 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.954 ' HB2' HD13 ' A' ' 81' ' ' LEU . 75.2 m95 -93.85 -26.75 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.818 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -71.16 -32.09 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.6 Cg_endo -74.97 -27.95 9.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.78 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.923 ' CD1' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.97 -18.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.911 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -73.75 -55.92 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -75.67 -27.38 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.705 ' HB3' ' CD ' ' A' ' 36' ' ' GLU . . . -58.99 -61.6 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.954 ' CD1' ' HB2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -59.86 -44.53 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -55.68 -38.85 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -68.01 -21.56 65.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -114.35 -75.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.5 tp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -56.5 -50.28 72.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.82 -43.26 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.954 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 33.8 t90 -51.81 -36.92 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -57.55 -49.2 75.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 3.8 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.929 HG23 ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -64.97 -53.92 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.911 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -70.78 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -35.4 -30.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.174 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.11 -50.82 52.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.954 HD13 ' HB2' ' A' ' 51' ' ' TRP . 12.2 tp -52.62 -41.73 63.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.613 ' HE2' HD11 ' A' ' 78' ' ' LEU . 1.6 mptp? -68.75 -24.32 64.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -68.98 -35.63 76.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.661 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.43 -50.86 65.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -20.02 66.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -85.36 -58.26 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.73 -35.04 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.948 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.76 -53.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.71 -44.69 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.5 mmtp -46.03 -39.53 9.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.067 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.83 -65.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.34 -40.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.1 -64.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.64 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.29 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -22.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.2 -65.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.1 -43.24 8.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.9 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.29 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.23 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -104.83 46.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -163.98 -29.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.12 -88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.1 mt -53.55 -32.55 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.64 -77.58 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.67 -45.19 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.59 -53.07 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.786 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.21 -55.28 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.019 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.01 -47.73 82.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.21 -64.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.94 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.03 -55.58 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -64.92 4.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.019 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.3 tmtt? -140.82 27.6 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 17.0 mt-10 -144.83 8.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.826 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.3 32.98 3.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.54 49.58 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.28 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.701 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.31 22.35 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.701 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.79 143.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.703 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.96 -3.05 13.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.748 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.92 -18.18 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.7 t70 -33.76 -39.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.067 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.18 -32.5 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.84 -4.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.543 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.18 149.41 41.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.02 118.79 5.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.13 49.0 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.57 -0.3 52.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.864 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.8 m95 -97.33 -7.86 31.0 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.21 -26.4 0.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.97 -34.6 3.73 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.34 -24.76 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.59 -56.36 12.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.97 -12.54 60.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.96 -76.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.128 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.04 -37.85 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.962 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.8 mm-40 -71.36 -18.1 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.01 61.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.128 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.47 -45.26 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.17 77.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.941 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.8 t90 -57.22 -48.75 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.55 -51.42 2.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.2 -37.89 86.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.049 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.63 -56.9 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.72 -59.16 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -32.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.195 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.53 -50.27 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.864 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.84 -44.08 63.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.738 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.62 -23.02 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.26 -34.71 70.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.622 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.01 -48.83 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.21 65.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.8 -32.85 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.772 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.19 -46.33 9.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.978 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.99 -28.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.192 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.56 -70.31 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.44 -22.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.79 -71.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.027 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.1 tp -44.42 -44.1 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.588 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.66 -64.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.37 -48.37 67.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.307 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.04 -23.27 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.82 -63.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.594 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -97.07 -44.0 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.307 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.26 -73.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.7 t -108.12 46.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.594 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.9 -26.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 68.8 176.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.79 -32.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.99 -57.91 7.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.45 -50.29 62.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -39.76 -44.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.854 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.36 -65.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.004 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 24.9 m -52.16 -34.62 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.11 -66.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.027 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.59 -47.25 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.854 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.12 0.4 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.004 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.75 27.9 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.11 7.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 1.006 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.34 34.06 4.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.13 49.49 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.95 11.58 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.01 177.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 17.67 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.777 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.0 t -68.47 -23.31 64.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.19 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.978 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.64 -34.62 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.972 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.4 m-30 -55.13 -12.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -134.59 128.81 19.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.19 23.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 58.09 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.651 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.46 14.16 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.732 . . . . 0.0 109.968 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.4 m95 -97.24 -0.76 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.29 -19.74 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.938 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.29 -18.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.629 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.56 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.87 -13.06 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.33 -71.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.063 HD13 ' CG ' ' A' ' 74' ' ' TRP . 1.4 mp -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -34.54 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.65 71.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 12.7 mtt-85 -154.43 66.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.77 -44.96 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.699 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.1 m -58.71 -43.44 90.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.7 t90 -56.32 -39.26 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.29 -46.67 57.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.24 -44.9 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.24 -57.62 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.29 -60.06 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.282 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.57 -47.68 59.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.67 -44.29 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.8 -37.79 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.33 -48.8 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -20.97 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.61 -46.91 12.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.17 -40.23 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.029 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.36 -50.34 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.198 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.73 -43.32 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.37 -37.43 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.083 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.28 -59.76 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.7 -41.21 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.701 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.08 -67.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.22 -49.35 74.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.62 -60.36 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.19 -50.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -50.2 -37.32 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.237 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.802 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.7 t -108.21 46.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.53 -24.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.862 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.17 -93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.8 mt -50.51 -33.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.59 -55.12 18.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.59 -56.01 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.748 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.03 -40.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.821 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.25 -74.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.65 -30.81 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.67 -48.35 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.37 2.33 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.8 26.43 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.45 5.67 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 35.88 2.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.75 43.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.81 9.19 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.11 11.7 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.68 105.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 -8.12 19.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.25 -10.56 55.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.12 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.083 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.13 -36.03 50.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.7 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.0 t -118.72 144.4 35.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.39 64.35 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.746 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.61 -18.12 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.935 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.46 -22.79 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.868 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.69 -28.59 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.868 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.95 -31.86 5.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.67 -24.83 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.02 -56.27 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.14 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.07 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.49 -38.37 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.45 -36.08 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.65 -21.71 64.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.35 70.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.953 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -66.2 -45.81 79.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.862 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.81 -46.52 88.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 68.3 t90 -57.42 -27.35 62.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 107.978 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.62 -61.16 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.802 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.2 tt -60.95 -44.08 97.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.14 -58.31 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.894 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.64 -59.26 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.12 -31.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.117 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.237 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.69 -48.17 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.73 -44.1 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.888 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.2 -24.02 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.25 -35.26 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.46 -49.68 70.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -16.1 62.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.25 -43.97 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.712 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.761 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.77 -44.38 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.082 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.22 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 -47.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.712 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.43 -34.44 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.63 -40.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.803 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.93 -68.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.65 -51.36 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.186 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.21 -53.82 25.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.7 t -36.87 -55.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.79 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.38 -31.17 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.43 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.87 47.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 108.27 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.13 -14.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.45 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.16 -37.63 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.88 -77.14 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.14 -40.02 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.45 -54.03 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.11 -50.48 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.213 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.4 m -58.49 -30.67 67.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.76 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.15 -47.43 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.35 5.86 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.213 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.86 31.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.835 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.66 -4.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.69 28.26 2.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.91 43.13 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.34 13.14 27.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.625 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.41 8.19 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.8 p 148.55 110.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 -6.59 18.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.27 -12.84 61.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.7 t0 -35.62 -35.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.26 29.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.701 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.92 -12.85 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -100.67 144.93 29.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.53 58.62 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.24 0.73 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.6 m95 -98.67 -16.95 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.37 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -75.0 -39.03 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.438 1.757 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.33 -21.28 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.24 -59.54 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.23 -14.9 58.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.664 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.09 -68.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.084 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.56 -43.91 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.05 61.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.75 -32.57 67.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.88 63.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.81 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.49 -44.18 89.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.084 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.7 t90 -53.65 -31.24 46.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.726 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.22 -50.47 67.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.47 -44.7 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.29 -59.59 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.54 -58.21 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.79 -31.04 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.58 -48.36 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.68 -44.16 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.9 -23.39 63.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.47 -50.02 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.64 66.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.72 -34.75 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.593 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.884 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.65 -37.57 17.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.07 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.62 -28.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.46 -66.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.86 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.26 -73.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.85 -39.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.92 -70.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -54.65 -45.03 73.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.95 -57.75 8.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.989 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 29.0 t -33.65 -51.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.88 -64.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.1 m -46.98 -33.65 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.32 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.862 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.46 -50.48 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.266 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -60.36 -12.85 26.78 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.567 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.11 -103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.2 mt -50.84 -32.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.27 -64.22 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.159 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.74 -46.34 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.684 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.46 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.788 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.0 mt -81.04 -58.35 3.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.9 m -50.73 -27.71 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.159 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.66 -68.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.83 37.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.42 -1.7 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.743 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.9 mm-40 -133.06 4.92 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.33 21.24 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.09 28.78 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -111.0 152.7 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.04 -21.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.18 169.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.905 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 21.6 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.4 t -70.63 -19.65 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.604 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.89 -26.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.07 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.57 -34.15 18.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 1.043 ' CD1' HG21 ' A' ' 4' ' ' VAL . 10.0 m-30 -54.65 -13.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.18 133.18 8.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 128.93 11.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.38 68.11 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.658 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.27 11.38 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.978 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.7 -1.76 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.935 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.58 -21.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.935 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.05 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.17 -22.65 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -60.96 -57.24 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.178 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.49 -44.46 84.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.19 -37.02 61.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.0 -24.34 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.11 67.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.738 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.079 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -55.98 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.634 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.89 -41.44 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.178 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.1 t90 -58.84 -30.13 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.84 -53.76 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.37 -48.23 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.8 p -63.97 -56.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.74 -57.99 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.34 -29.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.137 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.16 -47.91 75.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.978 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.69 -43.39 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.82 -24.52 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.22 -37.82 78.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.65 -48.23 81.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -15.61 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -86.45 -59.27 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.804 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.706 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.54 -43.51 98.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.23 -50.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.48 -41.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.05 -39.55 56.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.064 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.92 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.56 -43.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.562 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 44.0 t -69.25 -66.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.144 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.47 -62.44 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.5 t -33.52 -47.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.89 -27.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.56 -33.77 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 108.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 13' ' ' LYS . . . -66.68 -4.05 23.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 10.9 mp0 -76.33 -83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.7 -45.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.1 -47.09 33.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.74 -54.51 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.24 -42.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.997 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.73 -34.5 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.113 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.59 -67.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.902 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.23 -49.61 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.54 0.9 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.997 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.67 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.0 mm-40 -140.47 6.92 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.48 21.99 6.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.11 39.5 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.2 4.98 25.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.715 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.59 11.36 36.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.715 ' CB ' ' O ' ' A' ' 40' ' ' MET . 25.9 t 136.76 118.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.823 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.05 -14.49 62.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.1 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.064 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.86 -32.96 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.49 -11.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 t -119.3 148.58 45.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.27 64.13 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.769 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.44 -15.79 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.959 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.1 m95 -96.86 -16.64 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.857 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.49 -28.24 0.5 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -34.9 3.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.113 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -22.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -64.99 -60.66 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.66 -11.68 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.97 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.094 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.9 -42.01 64.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.094 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.3 t -53.09 -36.46 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -73.48 -21.65 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.62 70.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.894 ' CD2' HD23 ' A' ' 58' ' ' LEU . 15.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -44.49 86.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.664 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.01 -46.17 91.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.3 t90 -59.18 -37.87 78.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.22 -47.46 42.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.59 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.96 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.04 -57.08 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.13 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.75 -29.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.45 -49.79 25.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.959 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.72 -44.06 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.83 -24.06 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.2 -50.61 65.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.76 -27.88 68.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.76 12.22 34.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.622 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.58 -39.33 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.073 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.95 -26.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.14 -68.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.83 -21.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.53 -70.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.914 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -45.0 -45.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.677 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.31 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.88 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.25 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.85 -21.53 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.851 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.3 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.82 -45.1 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.88 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.92 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.43 -69.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -97.93 -48.6 5.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' LYS . . . -60.48 -20.25 55.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 28' ' ' ALA . 2.1 mmtm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 41.2 tt0 -43.35 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.5 mt -52.71 -33.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.74 -77.16 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.01 -40.34 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.677 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.31 -54.31 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.96 -51.4 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.6 -34.18 64.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.82 -66.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.81 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.35 -48.15 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.85 -1.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.78 25.06 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.693 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.46 5.08 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.91 38.25 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.41 44.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.32 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.77 -29.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.19 162.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.864 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.14 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.91 -19.58 61.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.9 -30.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.073 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.92 -34.54 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 1.028 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.09 -14.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.29 122.97 9.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.49 53.06 2.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.644 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.5 12.43 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.001 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.43 -0.74 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -75.01 -20.41 0.39 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.975 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.1 Cg_endo -75.04 -36.07 2.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.066 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.36 -25.03 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.783 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.45 -51.53 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.14 61.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.693 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.53 -74.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.134 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.7 -34.3 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.134 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.2 -35.73 77.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tm0? -67.5 -30.73 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -154.92 62.02 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.91 -47.97 72.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.36 -47.48 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.1 t90 -62.15 -49.8 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.84 -52.91 1.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.57 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.04 -56.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.79 -54.74 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.39 -47.79 63.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.98 -44.77 71.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.725 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.08 -23.03 63.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.04 -52.53 55.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.8 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.3 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.42 -51.96 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.1 -30.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.965 HG11 ' CB ' ' A' ' 45' ' ' LEU . 12.0 p -67.48 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.956 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.5 -41.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.04 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.838 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.75 -46.15 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.055 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.47 -21.29 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.8 -63.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.687 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.72 -45.68 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.6 m -59.99 -26.84 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.99 -74.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.87 40.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.259 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.83 3.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.19 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.11 -32.67 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.49 -77.08 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.15 -48.3 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.72 -49.38 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.1 -57.22 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.055 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -52.0 -37.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.4 -67.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.961 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.18 -47.03 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.926 ' HG2' HD23 ' A' ' 39' ' ' LEU . 5.9 tm0? -69.36 1.15 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.055 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.89 25.95 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.934 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.95 9.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.24 36.59 50.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.5 mp -124.18 33.51 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.72 97.11 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.44 159.81 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.02 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.793 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.95 -16.78 53.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.1 t70 -46.05 -22.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.83 -32.61 27.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.83 -11.25 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.5 t -138.71 131.08 15.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.54 42.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 43.72 93.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.54 7.29 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.3 m95 -96.15 -2.49 46.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.95 -24.17 0.53 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -35.27 3.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.961 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.49 -20.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.954 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.52 -51.94 25.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.28 -15.35 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.4 -67.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.48 -40.17 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.933 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.49 -37.51 82.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.47 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.67 54.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -41.65 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.99 -43.37 91.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.023 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.3 t90 -54.53 -51.16 66.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.82 -51.61 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.12 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.97 -57.71 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.954 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.27 -58.84 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.2 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.4 -52.28 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.9 tp -50.99 -44.09 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.3 -24.68 62.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.47 -50.72 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.65 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.24 -36.91 20.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.72 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.72 -34.94 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.948 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.79 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.66 -44.72 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.6 mmtp -46.07 -39.46 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.88 -65.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.44 -40.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.056 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.62 28.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.17 -22.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.32 -65.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.2 -43.26 8.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.21 -73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.5 t -104.96 46.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.351 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.01 -29.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 110.207 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.0 mt -53.67 -32.44 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.68 -77.46 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.87 -45.05 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.66 -53.13 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.787 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.19 -55.27 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.02 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.0 -47.74 82.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.605 1.191 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.22 -64.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.375 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.939 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.16 -55.52 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.741 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -64.87 4.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.02 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.4 tmtt? -140.8 27.5 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.221 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 16.9 mt-10 -144.72 8.15 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.827 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.35 33.03 3.51 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.55 49.5 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.23 32.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.702 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.22 22.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 111.03 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.86 143.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.704 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.573 1.828 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.749 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.74 -18.3 65.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.6 t70 -33.79 -39.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.2 -32.59 16.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.7 -4.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.12 149.41 41.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.2 Cg_endo -75.08 118.74 5.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 49.09 7.13 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.606 ' OG ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -84.61 -0.27 52.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 0.811 . . . . 0.0 110.038 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.863 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.9 m95 -97.31 -7.79 31.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 108.084 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.2 -26.43 0.54 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -34.6 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.952 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.33 -24.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.63 -56.37 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 1.045 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.91 -12.69 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.94 -76.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.13 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.06 -37.81 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.961 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.9 mm-40 -71.37 -18.12 62.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.16 61.84 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.794 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.13 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.25 -45.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.395 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.23 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.943 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.7 t90 -57.24 -48.7 78.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.59 -51.43 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.19 -37.85 86.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.05 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.59 -56.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.71 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.31 -32.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.194 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.57 -50.25 53.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.82 -44.07 63.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.737 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.64 -23.02 62.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.36 -34.71 70.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.623 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.94 -48.85 74.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.16 65.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.88 -32.79 59.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.77 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.22 -46.39 9.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.979 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.96 -28.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.193 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.58 -70.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.47 -22.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 1.055 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.85 -71.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.026 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.0 tp -44.45 -44.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.59 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.73 -64.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.653 1.22 . . . . 0.0 109.922 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.36 -48.4 67.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.102 . . . . 0.0 109.919 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.305 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.09 -23.23 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.85 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 108.354 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -96.92 -44.05 7.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.95 -30.77 70.43 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.305 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.3 -73.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.6 t -108.12 46.08 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.593 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.88 -26.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 68.86 176.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.67 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.92 -57.93 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.916 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.42 -50.24 62.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -40.01 -44.11 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.975 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.43 -65.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.007 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 25.3 m -52.25 -34.58 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.14 -66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.026 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.67 -47.23 55.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.852 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.08 0.38 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.007 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.78 28.03 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.19 7.05 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 1.007 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.4 34.14 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.17 49.51 2.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.49 8.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.86 11.48 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.653 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.02 177.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.973 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.99 17.59 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.776 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.2 t -68.4 -23.25 64.63 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.433 1.083 . . . . 0.0 110.181 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.2 -31.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.979 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.67 -34.62 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.97 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.2 m-30 -55.2 -12.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -134.58 128.76 19.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.928 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.12 24.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.88 58.1 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.65 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.43 14.27 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.796 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.3 m95 -97.38 -0.73 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 107.936 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.2 -19.82 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.38 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.05 -40.9 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.937 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.35 -18.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.63 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.66 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.71 -13.05 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.398 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.35 -71.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.063 HD13 ' CG ' ' A' ' 74' ' ' TRP . 1.4 mp -59.57 -41.97 91.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -34.55 65.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.57 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 12.5 mtt-85 -154.48 66.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.72 -44.89 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.7 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.2 m -58.75 -43.44 90.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.8 t90 -56.33 -39.23 72.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.25 -46.76 56.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.11 -57.75 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.21 -60.11 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.37 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.283 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.58 -47.81 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.224 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.6 -44.27 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.651 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.06 -24.51 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.73 -37.82 73.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.35 -48.71 80.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -20.87 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.7 -46.86 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.24 -40.2 90.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.03 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.36 -50.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.199 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.72 -43.29 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.41 -37.4 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.31 -59.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.69 -41.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.699 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.14 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.18 -49.37 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.977 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.53 -60.45 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.13 -50.89 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 108.363 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.4 m -50.1 -37.4 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.381 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.804 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.8 t -108.3 46.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.54 -24.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.863 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.22 -93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.9 mt -50.59 -33.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.72 -55.04 19.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.57 -56.04 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.746 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.02 -40.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.82 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.27 -74.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.59 -30.84 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.649 1.218 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.69 -48.33 26.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.28 2.28 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.597 1.186 . . . . 0.0 110.345 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.82 26.45 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.53 5.82 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.8 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.6 43.42 1.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.76 9.17 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.309 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.09 11.65 27.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 111.116 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.66 105.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -8.03 19.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.19 -10.63 55.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.514 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.09 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.09 -36.05 49.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.65 3.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -118.7 144.38 35.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.43 64.46 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.67 -18.15 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.936 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.44 -22.71 16.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.869 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.84 -28.45 0.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.869 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.8 Cg_endo -75.06 -31.84 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.58 -24.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.0 -56.32 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.16 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.13 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.39 -38.44 53.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.35 -36.18 75.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.54 -21.93 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.23 70.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.954 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -66.2 -45.7 79.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.863 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.8 -46.66 88.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 67.8 t90 -57.37 -27.37 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 108.007 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.47 -61.25 6.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.417 1.073 . . . . 0.0 111.033 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.1 tt -60.9 -44.12 97.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.17 -58.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.895 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.63 -59.26 2.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.09 -31.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.064 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.68 -48.06 56.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.84 -44.17 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.89 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.01 -24.12 63.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.26 -35.32 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.635 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.33 -49.71 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -16.18 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.21 -44.02 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.711 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.76 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.75 -44.4 73.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.62 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.219 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.72 -47.74 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.52 -34.44 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.37 1.044 . . . . 0.0 109.382 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.75 -40.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.804 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.96 -68.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.185 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -53.88 24.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.712 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.8 t -36.78 -55.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.221 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.771 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.81 -59.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.36 -31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.44 -80.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.86 48.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.15 -14.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.771 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.55 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.15 -37.73 47.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.224 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.75 -77.22 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.416 1.072 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.13 -40.02 14.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.604 0.826 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.4 -54.11 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.13 -50.39 4.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.212 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.0 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.81 -69.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.3 -47.41 61.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.176 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.29 5.81 5.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.594 1.184 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.212 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.84 31.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.58 -4.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.74 28.24 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.89 43.15 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.41 13.18 27.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.627 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.42 8.15 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.9 p 148.55 110.51 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -6.49 17.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.33 -12.81 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.997 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.6 t0 -35.47 -35.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.7 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.95 -12.84 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -100.54 144.89 29.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.054 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.63 58.61 1.18 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.22 0.71 57.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.7 m95 -98.63 -17.0 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.906 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.33 0.47 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.906 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -39.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.29 -21.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.23 -59.59 5.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.19 -14.96 58.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.19 -68.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.082 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.58 -43.89 92.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.19 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.72 -32.54 67.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.9 63.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.84 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.43 -44.21 89.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.082 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.6 t90 -53.67 -31.22 46.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.727 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.28 -50.39 68.19 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.628 1.205 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.52 -44.7 95.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.34 -59.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.64 -58.19 5.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.727 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.84 -31.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.5 -48.46 48.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.54 -44.29 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.79 -23.39 63.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.63 -35.69 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.44 -50.07 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.68 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.63 -34.85 46.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.592 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.885 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.78 -37.46 17.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.071 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.71 -28.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.44 -66.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.84 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.99 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.3 -73.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.78 -39.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.84 -70.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -54.66 -45.08 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.85 -57.8 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.987 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t -33.69 -51.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.87 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.3 m -47.08 -33.6 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.33 -72.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.864 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.33 -50.6 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -60.37 -12.81 26.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.23 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.6 mt -50.83 -31.97 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.4 -64.28 3.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.158 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.58 -46.39 39.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.682 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.42 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.9 mt -81.1 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.8 m -50.74 -27.7 7.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.158 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.71 -68.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.87 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.789 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.45 -1.65 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.741 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.8 mm-40 -133.06 4.86 3.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.52 21.08 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.01 28.69 7.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.37 0.688 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -110.93 152.73 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.06 -21.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.29 169.17 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.903 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.6 Cg_endo -74.92 21.5 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.387 1.73 . . . . 0.0 111.053 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.6 t -70.5 -19.79 62.9 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.84 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.071 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.51 -34.13 18.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 1.045 ' CD1' HG21 ' A' ' 4' ' ' VAL . 9.9 m-30 -54.72 -13.37 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.21 133.18 8.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.603 1.844 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.42 68.08 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.659 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.34 11.32 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 0.725 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.976 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.68 -1.75 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 108.035 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.936 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.64 -20.98 0.43 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.388 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.936 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.9 Cg_endo -75.15 -44.42 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.22 -22.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -61.02 -57.24 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.12 -13.31 59.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.179 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.47 -44.4 84.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.26 -36.99 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.03 -24.37 60.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.07 67.9 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.078 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -55.99 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.85 -41.46 64.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.179 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.0 t90 -58.9 -30.08 67.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.82 -53.9 39.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.17 -48.33 73.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 0.0 109.383 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.7 p -63.92 -56.11 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.66 -58.02 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.4 -28.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.136 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.42 -47.75 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.205 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.976 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.82 -43.31 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.76 -24.66 66.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -15.61 61.42 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.34 -59.27 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.805 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.59 -43.55 98.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.19 -50.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.53 -41.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.805 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.07 -39.51 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.99 -62.17 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.693 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.54 -44.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.403 1.065 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.56 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 43.8 t -69.13 -66.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.28 -48.26 79.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.147 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.46 -62.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.4 t -33.54 -47.7 0.24 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 108.333 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.53 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.86 -27.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.236 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.55 -33.82 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 13' ' ' LYS . . . -66.76 -3.92 23.83 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.59 0.817 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 10.9 mp0 -76.35 -83.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.65 -45.79 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.07 33.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.75 -54.51 41.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.25 -42.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.996 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.71 -34.46 18.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.112 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.68 -67.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.2 -49.59 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.56 0.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.996 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.57 2.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.9 mm-40 -140.51 6.99 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.45 22.0 6.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.399 1.062 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.07 39.37 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.13 4.98 25.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.716 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.51 11.21 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.716 ' CB ' ' O ' ' A' ' 40' ' ' MET . 26.0 t 136.74 118.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 110.038 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.97 -2.28 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.822 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.09 -14.44 62.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.0 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.89 -32.94 72.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.5 -11.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -119.36 148.57 45.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.29 63.97 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.77 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.27 -15.88 14.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 0.0 110.091 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.958 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.0 m95 -96.83 -16.64 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.858 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.48 -28.24 0.5 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.858 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -74.98 -34.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.398 1.736 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.112 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.58 -22.81 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.0 -60.7 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.62 -11.69 60.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.88 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.093 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.87 -42.06 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.093 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.2 t -53.04 -36.5 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 60' ' ' GLN . 2.0 tp-100 -73.45 -21.61 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.58 70.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.897 ' CD2' HD23 ' A' ' 58' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.91 -46.26 91.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.4 t90 -59.2 -37.8 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.19 -47.54 41.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.5 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.18 -57.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.08 -60.84 2.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.74 -29.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.236 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.48 -49.71 25.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 0.813 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.958 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.85 -44.0 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.649 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.82 -24.09 62.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.88 -34.83 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.1 -50.68 65.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.71 -27.95 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 12.19 35.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.623 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.59 -39.31 16.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.074 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.83 -26.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.09 -68.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.73 -22.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.38 -70.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.915 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.93 -45.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.676 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.879 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.28 -52.63 62.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.8 -21.61 7.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.852 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.26 -59.73 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.84 -45.09 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.879 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.88 -30.4 71.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.48 -69.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -98.02 -48.62 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 108.284 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 18' ' ' LYS . . . -60.46 -20.19 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.365 0.685 . . . . 0.0 109.245 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' ALA . 2.1 mmtm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.1 tt0 -43.37 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.6 mt -52.73 -33.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.81 -77.1 0.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.06 -40.3 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.676 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.3 -54.3 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.94 -51.28 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.615 1.197 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.69 -34.09 64.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.98 -66.27 0.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.49 -47.98 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.96 -1.47 5.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.73 25.05 3.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.692 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.45 5.09 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.9 38.09 20.57 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.23 44.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.374 0.691 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.38 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.82 -29.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.16 163.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.926 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.861 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.05 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.75 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.93 -19.5 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.98 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.074 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.7 -34.64 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.39 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 1.029 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.06 -14.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.27 122.99 10.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.056 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.26 15.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.411 1.743 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.46 53.01 2.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.419 1.074 . . . . 0.0 111.089 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.643 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.52 12.51 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.36 -0.78 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.071 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.98 -20.43 0.39 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.974 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.5 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.579 1.831 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.29 -25.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.781 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.55 -51.44 56.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -15.11 61.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.692 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.56 -74.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.135 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.68 -34.36 11.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 109.379 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.135 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.17 -35.73 77.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -67.56 -30.6 70.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -155.04 62.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.626 1.204 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.79 -48.01 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.37 -47.55 85.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.2 t90 -62.15 -49.72 74.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 108.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.83 -52.94 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.59 80.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.897 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -67.94 -57.01 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.78 -54.67 10.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.42 -47.81 62.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.94 -44.73 70.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.14 -23.11 62.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.02 -52.48 55.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.85 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -65.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.36 -52.02 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.02 -30.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.712 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 ' CB ' ' A' ' 45' ' ' LEU . 11.8 p -67.53 -72.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.958 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.43 -41.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.226 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.97 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.839 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.78 -46.2 83.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.272 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.4 -21.29 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.79 -63.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.406 1.066 . . . . 0.0 108.231 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.688 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.62 -45.75 7.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.839 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.7 m -60.08 -26.74 66.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.92 -74.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.86 40.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.688 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.87 3.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.61 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.19 -32.65 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.53 -77.07 0.13 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.217 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.22 -48.17 54.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.77 -49.32 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.072 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -57.15 2.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.056 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -51.93 -37.23 51.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.217 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.33 -67.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.611 1.195 . . . . 0.0 109.356 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.17 -47.02 69.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.924 ' HG2' HD23 ' A' ' 39' ' ' LEU . 6.0 tm0? -69.24 1.04 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.056 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.86 25.92 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.935 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.9 9.76 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.25 36.54 50.35 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.432 1.083 . . . . 0.0 111.08 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.6 mp -124.16 33.57 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.384 0.697 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.75 97.1 7.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.4 159.8 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 0.88 8.37 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.795 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.91 -16.83 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.0 t70 -45.99 -22.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.77 -32.74 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.8 -11.32 0.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.6 t -138.7 131.05 15.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.94 43.73 93.1 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.564 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.6 7.3 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.909 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.5 m95 -96.12 -2.44 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -24.13 0.52 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.98 -35.25 3.27 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.595 1.839 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.962 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.54 -20.65 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.083 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.955 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.61 -51.86 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.32 -15.35 60.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.46 -67.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.47 -40.25 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.934 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.45 -37.49 83.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.44 -31.58 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.71 54.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.765 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -41.72 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.92 -43.32 91.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 1.027 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.2 t90 -54.49 -51.25 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.81 -51.52 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.09 -40.89 97.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.396 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.85 -57.8 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.955 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.2 -58.86 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.25 -27.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.46 -52.25 34.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.0 tp -50.98 -44.07 60.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.606 1.191 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.4 -24.56 62.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.84 -35.2 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.29 -50.84 66.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.62 66.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -85.23 -37.0 20.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.634 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -64.33 -9.07 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.919 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -84.89 -40.89 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.033 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -40.56 -34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.214 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.35 -55.36 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER -52.39 -42.06 63.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -60.32 -64.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.048 HD11 ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp -44.36 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -72.61 -65.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 1.024 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -59.16 -53.14 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.269 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -44.14 -54.8 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.056 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 45.0 t -40.3 -58.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -93.72 -57.1 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.024 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.5 m -49.76 -30.87 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.269 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -69.7 -76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.76 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.2 t -111.4 47.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -164.76 -18.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -27.68 96.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER 165.69 -63.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -62.25 170.36 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -43.66 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.5 t 159.19 59.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.62 -39.76 91.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.837 ' HD3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -143.09 12.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.515 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 36.1 tt0 -47.98 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mt -54.48 -33.37 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.76 -82.01 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.056 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -50.54 -46.48 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.649 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -40.02 -47.4 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.839 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -95.01 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.946 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.5 m -55.82 -42.35 75.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.053 HD12 ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -63.22 -62.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.048 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -68.38 -47.74 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.3 tt0 -68.88 3.01 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.946 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.7 ttmt -136.34 21.91 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.698 ' CB ' HG12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -136.96 8.55 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.692 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 96.8 27.15 9.83 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.888 HD23 HG13 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -121.48 50.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -91.06 17.14 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.3 tpp -91.61 10.21 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 40' ' ' MET . 1.2 p 94.1 177.75 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.896 ' HG3' HG23 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.99 18.41 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.73 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 1.2 m -68.88 -23.21 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.2 OUTLIER -39.18 -40.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.033 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 1.2 tt -61.61 -33.39 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 1.012 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.8 m-30 -56.12 -4.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' LEU . 13.7 t -127.69 137.23 30.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.98 128.88 11.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.63 46.05 86.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -96.57 15.21 22.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.98 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.938 ' HB2' HD13 ' A' ' 81' ' ' LEU . 28.9 m95 -95.85 -3.46 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.924 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.18 -23.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.924 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.99 -34.47 3.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.053 ' CD1' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.23 -18.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.836 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -72.59 -53.52 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -12.85 61.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.667 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -66.93 -71.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.124 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.37 -36.63 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.124 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.83 -36.99 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -21.2 63.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.79 ' CG ' HD12 ' A' ' 64' ' ' ILE . 1.4 ptt180 -164.41 66.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 1.015 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -67.3 -9.03 36.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.19 12.93 31.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.819 ' C ' HD23 ' A' ' 65' ' ' LEU . 9.1 mt -102.71 -11.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.83 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -112.55 151.9 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.67 73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 -7.39 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.88 24.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.8 -59.26 0.6 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -177.96 -65.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.079 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -124.65 1.49 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.71 ' O ' HD22 ' A' ' 76' ' ' LEU . 6.5 mmtt -51.79 -46.08 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.914 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.0 m -58.71 -46.0 88.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.855 ' CE3' HD23 ' A' ' 71' ' ' LEU . 3.6 t90 -59.27 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.94 -49.42 2.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.09 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.837 HD23 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -65.07 -41.1 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.977 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -69.53 -56.83 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.836 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -31.27 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.265 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.33 -47.46 64.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.938 HD13 ' HB2' ' A' ' 51' ' ' TRP . 2.0 tp -51.62 -43.51 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.72 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.14 -24.29 64.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.11 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.88 -44.99 91.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.41 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -77.63 -23.6 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.667 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -58.94 -8.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.758 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.39 -39.77 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.016 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.75 -29.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.224 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.42 -67.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 10' ' ' SER . 86.1 tttt -49.31 -21.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 45' ' ' LEU . 12.3 p -67.64 -70.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.004 HD11 ' HG ' ' A' ' 33' ' ' LEU . 5.5 tp -45.95 -48.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.603 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 77.3 p -60.77 -61.61 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.857 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -68.43 -52.58 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.366 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.61 -20.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -73.25 -63.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -97.02 -41.41 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.857 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -64.54 -29.28 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.366 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -60.61 -70.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.7 -47.65 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.334 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -62.16 -15.56 50.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER 36.24 -104.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 21' ' ' PRO . 10.0 m -96.4 -45.52 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 m -34.27 95.58 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 179.95 5.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER 167.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.041 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' SER . 2.1 mttt 170.05 163.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.66 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER 77.41 -0.56 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -47.22 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' MET . 3.3 mt -51.38 -33.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.69 -60.84 5.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.071 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -50.18 -53.52 27.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.626 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.38 -43.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.837 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -95.23 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.987 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 69.1 m -52.72 -34.72 53.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.071 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -68.19 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.004 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.79 -45.02 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.837 ' N ' ' O ' ' A' ' 30' ' ' LEU . 10.3 tt0 -70.57 0.87 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.987 ' CB ' ' O ' ' A' ' 31' ' ' SER . 4.9 ttmm -139.39 26.14 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.764 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 4.8 mm-40 -140.08 7.7 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 95.62 27.4 10.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -123.2 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -94.45 24.65 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.09 4.17 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.1 p 99.81 174.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 17.46 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.4 t -67.86 -25.28 65.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' SER . 5.3 t70 -33.55 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.016 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -71.58 -35.91 70.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.966 ' CD1' HG21 ' A' ' 4' ' ' VAL . 13.7 m-30 -54.7 -10.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' LEU . 19.1 t -138.14 129.87 15.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.14 17.38 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.38 56.69 4.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -123.24 11.94 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 11.3 m95 -95.4 -2.1 49.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.919 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.12 -20.95 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.919 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.0 -35.44 3.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.95 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -75.79 -26.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.821 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.1 m -67.05 -52.59 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.84 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.764 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -64.67 -75.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.181 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.46 -35.72 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.059 ' N ' HD22 ' A' ' 58' ' ' LEU . 3.1 t -62.91 -37.88 88.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.87 -24.91 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -69.41 -10.48 58.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.495 ' O ' HG13 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -80.67 -27.34 37.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 63' ' ' MET . 2.9 mp -144.07 66.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.802 HD22 HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -103.33 -150.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.566 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -40.37 -32.14 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 69' ' ' GLY . 21.4 tttt -126.04 151.48 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 t -49.56 -19.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 67' ' ' LYS . . . 164.23 82.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -172.11 68.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.181 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -54.45 -16.6 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -40.44 -41.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.66 HG21 ' HB3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.73 -48.61 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.155 ' CE3' HD23 ' A' ' 71' ' ' LEU . 2.0 t90 -62.86 -33.34 75.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.11 -52.78 25.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -66.64 -41.05 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -65.51 -57.26 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.866 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.71 -58.09 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.81 -30.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.157 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.54 -47.95 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.8 tm? -52.52 -44.72 65.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.785 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.36 -23.41 63.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.01 -35.8 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.65 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.45 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -20.14 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -13.54 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.737 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.586 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.9 tt0 -61.06 -13.22 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.844 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -85.45 -37.63 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.041 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.19 -27.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.168 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.17 -66.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -50.57 -20.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.956 HG11 ' HB2' ' A' ' 45' ' ' LEU . 9.5 p -65.99 -70.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.029 HG23 ' HG3' ' A' ' 29' ' ' MET . 3.9 tp -42.45 -45.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.22 -64.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.762 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -65.09 -49.41 70.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.262 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.48 -20.62 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.014 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 7.5 t -73.93 -60.57 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.973 ' NZ ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.5 -50.28 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.762 ' N ' ' O ' ' A' ' 10' ' ' SER . 91.4 m -56.35 -30.38 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -69.58 -70.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -105.21 46.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.557 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -166.62 -27.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' GLY . 1.1 mptm? 35.46 -99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' SER . 31.1 m -39.37 -29.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 19' ' ' THR . 55.7 p -35.12 131.28 0.48 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.49 34.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -72.04 80.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER 76.62 11.45 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.7 tt0 -46.58 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.8 mp -53.17 -32.2 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -52.1 -67.46 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.014 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -47.96 -47.43 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.029 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.7 -53.25 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.928 HD13 ' SD ' ' A' ' 29' ' ' MET . 1.1 tp -86.5 -53.77 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.167 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -63.66 -54.13 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.055 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -47.74 -56.92 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.92 -57.93 3.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.752 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tm0? -71.69 11.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.2 tmtt? -138.55 20.52 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 46.3 mt-10 -136.37 5.87 3.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.62 27.44 73.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -137.79 43.93 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -112.84 133.42 54.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.53 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.9 ttt -144.58 -26.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.1 OUTLIER 158.08 162.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.875 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 19.67 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 46' ' ' TYR . 3.6 m -73.57 -18.35 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 5.6 t70 -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.041 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -79.14 -33.65 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 1.009 ' CD1' HG21 ' A' ' 4' ' ' VAL . 14.2 m-30 -56.87 -12.93 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.6 t -146.51 125.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.17 17.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.76 51.65 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.666 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.85 15.73 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.952 ' CB ' HD22 ' A' ' 81' ' ' LEU . 26.2 m95 -96.71 -1.15 47.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.945 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t70 -77.65 -19.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.945 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -74.99 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.01 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.37 -20.75 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.909 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.3 m -66.02 -49.64 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.53 -13.98 60.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 36' ' ' GLU . . . -65.31 -72.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.128 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.93 -38.54 56.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.128 ' N ' HD22 ' A' ' 58' ' ' LEU . 4.7 t -58.58 -36.88 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.94 -23.8 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.12 66.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 1.042 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -72.98 -16.14 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.874 ' C ' HD12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -81.44 -16.53 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.874 HD12 ' C ' ' A' ' 63' ' ' MET . 4.2 mp -147.14 65.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.05 ' CD2' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.44 -146.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.608 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -48.09 -48.53 25.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -117.84 65.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 67' ' ' LYS . 1.7 m 35.92 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . . . -113.09 70.51 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -161.91 64.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.05 HD12 ' CD2' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -59.71 -11.46 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.04 -45.81 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' HD3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.89 -46.37 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.977 ' CE3' HD23 ' A' ' 71' ' ' LEU . 1.3 t90 -60.57 -45.83 92.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.69 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -40.75 -49.54 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.973 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -63.53 -42.17 98.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.055 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.83 -57.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.909 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.83 -58.8 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.46 -27.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -67.71 -52.58 35.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.952 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.8 tp -50.28 -43.72 53.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.685 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.78 -25.3 62.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.45 -36.59 76.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -62.86 -47.33 83.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -73.17 -19.24 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.55 -21.98 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.619 ' HA2' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -88.81 -45.16 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.731 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.89 -44.06 97.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.979 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.71 -53.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.067 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.49 -39.07 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.71 ' HB3' ' HA ' ' A' ' 3' ' ' ALA . 4.3 ttmm -52.05 -41.12 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -71.08 -64.89 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -41.35 -45.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.591 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.0 t -66.06 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -64.24 -46.38 84.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.299 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.34 -24.72 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG23 ' A' ' 77' ' ' VAL . 47.4 t -73.5 -58.14 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.784 ' O ' ' N ' ' A' ' 18' ' ' LYS . 4.9 ttpm? -93.89 -53.33 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.832 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.6 m -54.52 -29.89 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.299 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -68.7 -74.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.04 -47.3 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -55.07 -18.33 12.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.784 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.0 tttt 61.91 -77.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 17' ' ' GLY . 1.6 t -154.89 -51.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' THR . 1.7 t -35.42 96.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.02 179.05 6.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER 161.27 40.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 33.99 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 73' ' ' THR . 3.1 mttt 175.94 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 5.7 mp0 -73.13 -76.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.5 mm -49.47 -39.56 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.13 -42.2 61.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.878 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -56.24 -53.83 52.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.889 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -37.01 -45.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.889 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -85.16 -71.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.015 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -55.56 -47.88 75.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -51.66 -59.34 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.011 ' CD1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.78 -52.28 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.849 ' OE1' HD23 ' A' ' 30' ' ' LEU . 27.9 mt-30 -67.86 4.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.015 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.0 tptt -138.97 23.65 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.705 ' CD ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -141.56 7.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.48 41.89 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.011 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.7 mp -141.43 46.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 34' ' ' GLN . 2.6 tp -112.33 12.58 20.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.65 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -102.09 1.95 36.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.9 m 145.93 120.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -74.99 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.843 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.77 -12.95 61.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' SER . 19.1 t70 -37.17 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -55.51 -35.38 65.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.757 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.6 m-30 -55.05 -12.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -95.98 147.44 32.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 107.92 2.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 87.48 69.0 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.793 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -100.27 -4.95 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.954 ' HB2' HD13 ' A' ' 81' ' ' LEU . 75.2 m95 -93.85 -26.75 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.818 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -71.16 -32.09 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.6 Cg_endo -74.97 -27.95 9.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.78 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.923 ' CD1' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.97 -18.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.911 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -73.75 -55.92 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -75.67 -27.38 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.705 ' HB3' ' CD ' ' A' ' 36' ' ' GLU . . . -58.99 -61.6 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.954 ' CD1' ' HB2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -59.86 -44.53 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -55.68 -38.85 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -68.01 -21.56 65.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.707 ' HG2' HD11 ' A' ' 64' ' ' ILE . 17.8 mtt85 -114.35 -75.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . 44.66 18.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -123.81 -23.19 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.707 HD11 ' HG2' ' A' ' 61' ' ' ARG . 2.5 pt -104.01 17.22 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.863 HD23 ' H ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -105.63 -128.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.863 ' H ' HD23 ' A' ' 65' ' ' LEU . . . 85.79 77.72 1.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.48 2.94 15.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -179.69 35.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.95 -84.69 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -144.81 -46.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.5 tp -154.71 22.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -56.5 -50.28 72.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.82 -43.26 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.954 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 33.8 t90 -51.81 -36.92 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -57.55 -49.2 75.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 3.8 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.929 HG23 ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -64.97 -53.92 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.911 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -70.78 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -35.4 -30.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.174 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.11 -50.82 52.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.954 HD13 ' HB2' ' A' ' 51' ' ' TRP . 12.2 tp -52.62 -41.73 63.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.613 ' HE2' HD11 ' A' ' 78' ' ' LEU . 1.6 mptp? -68.75 -24.32 64.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -68.98 -35.63 76.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.661 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.43 -50.86 65.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -20.02 66.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -85.36 -58.26 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 1.098 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -55.62 2.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.73 -35.04 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.098 HG22 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -40.76 -53.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.71 -44.69 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.5 mmtp -46.03 -39.53 9.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.067 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.83 -65.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.34 -40.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.1 -64.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.64 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.29 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -22.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.2 -65.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.1 -43.24 8.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.9 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.29 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.23 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -104.83 46.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -163.98 -29.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 26.5 45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLY . 87.0 m -158.95 20.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 19' ' ' THR . 74.4 m -35.04 93.91 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -53.36 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 25' ' ' GLU . 0.2 OUTLIER 175.53 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' GLU . 11.3 mmtt -80.48 161.65 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm 68.46 -64.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.12 -88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.1 mt -53.55 -32.55 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.64 -77.58 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.67 -45.19 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.59 -53.07 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.786 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.21 -55.28 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.019 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.01 -47.73 82.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.21 -64.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.94 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.03 -55.58 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -64.92 4.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.019 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.3 tmtt? -140.82 27.6 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 17.0 mt-10 -144.83 8.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.826 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.3 32.98 3.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.54 49.58 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.28 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.701 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.31 22.35 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.701 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.79 143.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.703 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.96 -3.05 13.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.748 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.92 -18.18 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.7 t70 -33.76 -39.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.067 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.18 -32.5 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.84 -4.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.543 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.18 149.41 41.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.02 118.79 5.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.13 49.0 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.57 -0.3 52.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.864 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.8 m95 -97.33 -7.86 31.0 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.21 -26.4 0.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.97 -34.6 3.73 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.34 -24.76 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.59 -56.36 12.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.97 -12.54 60.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.96 -76.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.128 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.04 -37.85 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.962 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.8 mm-40 -71.36 -18.1 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.56 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -155.01 61.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -81.54 0.12 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 mtm -78.16 -6.54 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.897 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.2 pt -101.08 -14.54 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.897 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -131.07 143.88 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.818 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 90.43 -27.28 8.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -46.55 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -108.64 -16.2 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -128.34 -101.87 1.08 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.624 ' N ' ' H ' ' A' ' 66' ' ' GLY . 1.5 tp10 178.05 73.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.128 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.4 -20.83 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.47 -45.26 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.17 77.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.941 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.8 t90 -57.22 -48.75 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.55 -51.42 2.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.2 -37.89 86.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.049 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.63 -56.9 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.72 -59.16 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -32.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.195 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.53 -50.27 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.864 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.84 -44.08 63.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.738 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.62 -23.02 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.26 -34.71 70.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.622 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.01 -48.83 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.21 65.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.8 -32.85 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.678 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 64.77 -19.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.772 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.19 -46.33 9.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.978 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.99 -28.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.192 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.56 -70.31 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.44 -22.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.79 -71.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.027 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.1 tp -44.42 -44.1 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.588 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.66 -64.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.37 -48.37 67.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.307 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.04 -23.27 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.82 -63.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.594 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -97.07 -44.0 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.307 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.26 -73.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.7 t -108.12 46.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.9 -26.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt 66.09 -68.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -150.77 -44.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.4 m -34.33 110.8 0.39 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.99 178.2 7.58 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 43.8 t 179.88 -78.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' SER . 2.0 mptp? -145.43 -47.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -42.47 -91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 68.8 176.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.79 -32.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.99 -57.91 7.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.45 -50.29 62.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -39.76 -44.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.854 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.36 -65.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.004 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 24.9 m -52.16 -34.62 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.11 -66.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.027 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.59 -47.25 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.854 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.12 0.4 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.004 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.75 27.9 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.11 7.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 1.006 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.34 34.06 4.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.13 49.49 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.95 11.58 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.01 177.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 17.67 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.777 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.0 t -68.47 -23.31 64.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.19 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.978 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.64 -34.62 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.972 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.4 m-30 -55.13 -12.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -134.59 128.81 19.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.19 23.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 58.09 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.651 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.46 14.16 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.732 . . . . 0.0 109.968 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.4 m95 -97.24 -0.76 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.29 -19.74 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.938 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.29 -18.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.629 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.56 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.87 -13.06 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.33 -71.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.08 ' CD2' HD13 ' A' ' 65' ' ' LEU . 1.4 mp -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -34.54 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.65 71.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.723 ' HB2' HD11 ' A' ' 64' ' ' ILE . 12.7 mtt-85 -154.43 66.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.39 0.11 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -11.02 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 61' ' ' ARG . 5.2 pt -103.37 18.03 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.08 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 tp -109.25 -132.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.6 ' H ' HD23 ' A' ' 65' ' ' LEU . . . 102.61 63.83 0.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 -0.93 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.8 t -178.66 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.89 -101.73 0.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -66.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp -146.64 19.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.77 -44.96 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.699 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.1 m -58.71 -43.44 90.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.7 t90 -56.32 -39.26 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.29 -46.67 57.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.24 -44.9 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.24 -57.62 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.29 -60.06 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.282 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.57 -47.68 59.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.67 -44.29 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.8 -37.79 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.33 -48.8 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -20.97 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.61 -46.91 12.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 1.035 ' H2 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 -88.21 -34.71 17.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.35 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.17 -40.23 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.035 HG21 ' H2 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -47.36 -50.34 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.198 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.73 -43.32 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.37 -37.43 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.083 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.28 -59.76 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.7 -41.21 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.701 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.08 -67.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.22 -49.35 74.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.62 -60.36 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.19 -50.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -50.2 -37.32 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.237 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.802 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.7 t -108.21 46.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.53 -24.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER 63.61 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -143.04 -43.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -21.8 95.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.94 -179.64 5.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.787 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 161.72 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 22' ' ' SER . 0.9 OUTLIER 160.3 163.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.862 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER 71.02 4.65 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.17 -93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.8 mt -50.51 -33.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.59 -55.12 18.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.59 -56.01 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.748 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.03 -40.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.821 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.25 -74.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.65 -30.81 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.67 -48.35 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.37 2.33 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.8 26.43 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.45 5.67 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 35.88 2.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.75 43.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.81 9.19 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.11 11.7 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.68 105.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 -8.12 19.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.25 -10.56 55.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.12 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.083 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.13 -36.03 50.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.7 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.0 t -118.72 144.4 35.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.39 64.35 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.746 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.61 -18.12 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.935 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.46 -22.79 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.868 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.69 -28.59 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.868 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.95 -31.86 5.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.67 -24.83 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.02 -56.27 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.14 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.07 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.49 -38.37 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.45 -36.08 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.65 -21.71 64.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.35 70.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.953 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -75.54 -21.65 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.561 ' HB3' HD12 ' A' ' 64' ' ' ILE . 23.5 ttm -77.06 2.14 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -145.45 51.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 66' ' ' GLY . 6.6 tt -103.06 179.28 4.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.742 ' N ' HD23 ' A' ' 65' ' ' LEU . . . -86.52 26.25 6.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -119.4 -43.83 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t 73.86 -54.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.25 -63.5 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 71' ' ' LEU . 4.0 tt0 -172.9 -72.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -179.02 31.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -66.2 -45.81 79.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.862 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.81 -46.52 88.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 68.3 t90 -57.42 -27.35 62.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 107.978 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.62 -61.16 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.802 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.2 tt -60.95 -44.08 97.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.14 -58.31 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.894 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.64 -59.26 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.12 -31.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.117 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.237 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.69 -48.17 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.73 -44.1 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.888 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.2 -24.02 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.25 -35.26 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.46 -49.68 70.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -16.1 62.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.25 -43.97 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.633 ' CA ' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.712 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 67.18 -50.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.761 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.77 -44.38 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.082 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.22 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 -47.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.712 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.43 -34.44 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.63 -40.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.803 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.93 -68.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.65 -51.36 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.186 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.21 -53.82 25.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.7 t -36.87 -55.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.79 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.38 -31.17 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.43 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.87 47.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 108.27 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.13 -14.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 58.29 -172.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.516 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 1.8 m -62.2 -47.62 83.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' THR . 43.0 t -37.78 103.51 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 179.43 6.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.6 m 154.41 49.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 12.2 mptt 68.7 157.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? 80.49 -50.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.45 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.16 -37.63 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.88 -77.14 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.14 -40.02 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.45 -54.03 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.11 -50.48 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.213 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.4 m -58.49 -30.67 67.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.76 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.15 -47.43 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.35 5.86 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.213 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.86 31.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.835 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.66 -4.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.69 28.26 2.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.91 43.13 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.34 13.14 27.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.625 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.41 8.19 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.8 p 148.55 110.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 -6.59 18.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.27 -12.84 61.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.7 t0 -35.62 -35.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.26 29.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.701 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.92 -12.85 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -100.67 144.93 29.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.53 58.62 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.24 0.73 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.6 m95 -98.67 -16.95 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.37 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -75.0 -39.03 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.438 1.757 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.33 -21.28 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.24 -59.54 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.23 -14.9 58.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.664 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.09 -68.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.084 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.56 -43.91 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.05 61.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.75 -32.57 67.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.88 63.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -71.28 -5.53 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.505 ' C ' HD12 ' A' ' 64' ' ' ILE . 26.3 mmm -94.61 10.66 33.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.937 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -102.6 -10.88 9.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.021 ' CD1' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.86 -158.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.58 81.61 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 30.44 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.0 t 177.23 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.82 -98.44 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.26 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp -138.38 23.5 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.81 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.49 -44.18 89.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.084 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.7 t90 -53.65 -31.24 46.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.726 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.22 -50.47 67.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.47 -44.7 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.29 -59.59 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.54 -58.21 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.79 -31.04 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.58 -48.36 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.68 -44.16 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.9 -23.39 63.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.47 -50.02 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.64 66.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.72 -34.75 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -55.41 -11.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.884 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.65 -37.57 17.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.07 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.62 -28.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.46 -66.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.86 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.26 -73.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.85 -39.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.92 -70.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -54.65 -45.03 73.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.95 -57.75 8.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.989 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 29.0 t -33.65 -51.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.88 -64.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.1 m -46.98 -33.65 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.32 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.862 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.46 -50.48 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.266 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' PRO . . . -60.36 -12.85 26.78 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.85 -172.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -107.03 13.16 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -86.34 -63.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -175.51 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 11.1 t -149.83 19.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -73.15 124.91 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.567 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER 35.2 49.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.11 -103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.2 mt -50.84 -32.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.27 -64.22 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.159 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.74 -46.34 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.684 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.46 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.788 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.0 mt -81.04 -58.35 3.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.9 m -50.73 -27.71 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.159 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.66 -68.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.83 37.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.42 -1.7 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.743 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.9 mm-40 -133.06 4.92 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.33 21.24 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.09 28.78 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -111.0 152.7 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.04 -21.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.18 169.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.905 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 21.6 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.4 t -70.63 -19.65 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.604 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.89 -26.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.07 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.57 -34.15 18.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 1.043 ' CD1' HG21 ' A' ' 4' ' ' VAL . 10.0 m-30 -54.65 -13.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.18 133.18 8.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 128.93 11.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.38 68.11 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.658 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.27 11.38 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.978 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.7 -1.76 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.935 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.58 -21.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.935 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.05 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.17 -22.65 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -60.96 -57.24 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.178 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.49 -44.46 84.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.19 -37.02 61.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.0 -24.34 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.606 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -160.11 67.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.738 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -64.4 -19.85 65.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.852 ' C ' HD12 ' A' ' 64' ' ' ILE . 11.6 mmt -72.62 -0.9 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.852 HD12 ' C ' ' A' ' 63' ' ' MET . 2.7 mp -124.97 37.91 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.148 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.5 tp -104.89 174.14 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.766 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -44.78 -45.8 9.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -118.5 142.91 47.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.9 p -73.99 -6.5 47.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.98 -93.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.585 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 2.2 tt0 -146.38 -72.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.079 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp 174.57 39.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -55.98 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.634 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.89 -41.44 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.178 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.1 t90 -58.84 -30.13 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.84 -53.76 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.37 -48.23 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.8 p -63.97 -56.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.74 -57.99 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.34 -29.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.137 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.16 -47.91 75.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.978 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.69 -43.39 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.82 -24.52 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.22 -37.82 78.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.65 -48.23 81.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -15.61 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -86.45 -59.27 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' HA3' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.804 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 66.13 -44.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.706 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.54 -43.51 98.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.23 -50.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.48 -41.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.05 -39.55 56.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.064 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.92 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.56 -43.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.562 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 44.0 t -69.25 -66.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.144 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.47 -62.44 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.5 t -33.52 -47.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.89 -27.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.56 -33.77 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 108.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -66.68 -4.05 23.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -32.82 -22.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.815 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -63.13 33.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.706 ' H ' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -22.65 -49.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.815 ' HD2' ' C ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 29.08 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.792 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.4 t -114.98 -26.87 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 81.14 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER 80.55 14.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 23' ' ' LYS . 10.9 mp0 -76.33 -83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.7 -45.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.1 -47.09 33.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.74 -54.51 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.24 -42.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.997 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.73 -34.5 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.113 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.59 -67.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.902 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.23 -49.61 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.54 0.9 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.997 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.67 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.0 mm-40 -140.47 6.92 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.48 21.99 6.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.11 39.5 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.2 4.98 25.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.715 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.59 11.36 36.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.715 ' CB ' ' O ' ' A' ' 40' ' ' MET . 25.9 t 136.76 118.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.823 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.05 -14.49 62.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.1 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.064 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.86 -32.96 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.49 -11.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 t -119.3 148.58 45.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.27 64.13 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.769 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.44 -15.79 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.959 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.1 m95 -96.86 -16.64 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.857 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.49 -28.24 0.5 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -34.9 3.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.113 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -22.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -64.99 -60.66 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.66 -11.68 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.97 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.094 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.9 -42.01 64.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.094 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.3 t -53.09 -36.46 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -73.48 -21.65 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.62 70.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.1 -11.65 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -8.83 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.44 57.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.172 HD13 ' CD2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -97.38 -129.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.882 ' H ' HD23 ' A' ' 65' ' ' LEU . . . -85.38 -71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 -170.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -77.25 -12.13 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 68' ' ' SER . . . -37.14 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 6.4 tt0 -174.37 -76.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.172 ' CD2' HD13 ' A' ' 65' ' ' LEU . 15.0 mt -158.97 22.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -44.49 86.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.664 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.01 -46.17 91.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.3 t90 -59.18 -37.87 78.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.22 -47.46 42.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.59 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.96 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.04 -57.08 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.13 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.75 -29.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.45 -49.79 25.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.959 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.72 -44.06 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.83 -24.06 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.2 -50.61 65.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.76 -27.88 68.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.76 12.22 34.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.649 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.622 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 -56.66 -8.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.58 -39.33 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.073 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.95 -26.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.14 -68.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.83 -21.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.53 -70.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.914 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -45.0 -45.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.677 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.31 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.88 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.25 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.85 -21.53 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.851 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.3 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.82 -45.1 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.88 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.92 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.43 -69.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -97.93 -48.6 5.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -60.48 -20.25 55.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt 27.82 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 17' ' ' GLY . 30.7 m -34.85 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 23.5 t -32.87 107.58 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 171.03 59.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 5.6 mtmp? -142.89 110.81 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.1 mmtm 89.21 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 41.2 tt0 -43.35 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.5 mt -52.71 -33.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.74 -77.16 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.01 -40.34 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.677 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.31 -54.31 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.96 -51.4 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.6 -34.18 64.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.82 -66.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.81 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.35 -48.15 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.85 -1.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.78 25.06 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.693 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.46 5.08 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.91 38.25 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.41 44.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.32 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.77 -29.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.19 162.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.864 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.14 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.91 -19.58 61.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.9 -30.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.073 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.92 -34.54 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 1.028 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.09 -14.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.29 122.97 9.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.49 53.06 2.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.644 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.5 12.43 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.001 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.43 -0.74 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -75.01 -20.41 0.39 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.975 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.1 Cg_endo -75.04 -36.07 2.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.066 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.36 -25.03 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.783 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.45 -51.53 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.14 61.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.693 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.53 -74.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.134 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.7 -34.3 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.134 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.2 -35.73 77.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tm0? -67.5 -30.73 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HD2' HD13 ' A' ' 64' ' ' ILE . 1.3 mtt85 -154.92 62.02 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.54 -38.87 88.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.3 mtt -72.83 -9.31 58.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.715 ' O ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.59 64.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.37 -146.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.597 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -54.7 -46.14 76.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.22 135.07 52.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLY . 59.3 p -60.03 -28.77 68.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -36.11 -90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 4.5 tt0 -165.73 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 0.717 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -168.36 22.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.91 -47.97 72.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.36 -47.48 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.1 t90 -62.15 -49.8 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.84 -52.91 1.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.57 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.04 -56.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.79 -54.74 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.39 -47.79 63.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.98 -44.77 71.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.725 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.08 -23.03 63.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.04 -52.53 55.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.8 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.3 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 5.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 0.813 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.42 -51.96 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.1 -30.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.965 HG11 ' CB ' ' A' ' 45' ' ' LEU . 12.0 p -67.48 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.956 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.5 -41.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.04 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.838 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.75 -46.15 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.055 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.47 -21.29 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.8 -63.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.687 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.72 -45.68 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.6 m -59.99 -26.84 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.99 -74.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.87 40.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.259 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.83 3.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -34.76 155.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.533 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER 69.02 7.98 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.2 m -81.37 147.67 60.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER 165.46 115.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -139.9 -113.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -90.86 22.89 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.19 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.11 -32.67 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.49 -77.08 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.15 -48.3 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.72 -49.38 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.1 -57.22 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.055 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -52.0 -37.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.4 -67.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.961 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.18 -47.03 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.926 ' HG2' HD23 ' A' ' 39' ' ' LEU . 5.9 tm0? -69.36 1.15 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.055 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.89 25.95 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.934 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.95 9.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.24 36.59 50.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.5 mp -124.18 33.51 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.72 97.11 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.44 159.81 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.02 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.793 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.95 -16.78 53.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.1 t70 -46.05 -22.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.83 -32.61 27.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.83 -11.25 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.5 t -138.71 131.08 15.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.54 42.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 43.72 93.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.54 7.29 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.3 m95 -96.15 -2.49 46.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.95 -24.17 0.53 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -35.27 3.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.961 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.49 -20.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.954 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.52 -51.94 25.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.28 -15.35 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.4 -67.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.48 -40.17 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.933 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.49 -37.51 82.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.47 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.612 ' HB3' HD12 ' A' ' 64' ' ' ILE . 31.8 mtt-85 -142.67 54.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.44 1.21 17.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -6.39 49.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.918 ' C ' HD23 ' A' ' 65' ' ' LEU . 4.5 mt -98.67 -14.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.918 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -129.17 144.19 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.789 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 92.25 -26.94 11.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -117.5 -64.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 0.63 56.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -144.59 -106.7 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.636 ' N ' ' H ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER 176.77 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.351 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -50.45 -21.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -45.01 -41.65 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.99 -43.37 91.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.023 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.3 t90 -54.53 -51.16 66.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.82 -51.61 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.12 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.97 -57.71 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.954 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.27 -58.84 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.2 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.4 -52.28 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.9 tp -50.99 -44.09 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.3 -24.68 62.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.47 -50.72 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.65 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.24 -36.91 20.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 1.099 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -55.68 2.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.812 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.72 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.72 -34.94 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.099 HG22 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -40.79 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.66 -44.72 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.6 mmtp -46.07 -39.46 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.88 -65.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.44 -40.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.056 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.62 28.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.17 -22.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.32 -65.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.2 -43.26 8.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.21 -73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.5 t -104.96 46.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.351 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.01 -29.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 26.4 45.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLY . 86.9 m -159.05 20.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 19' ' ' THR . 74.1 m -34.97 93.97 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.0 Cg_endo -75.14 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 25' ' ' GLU . 0.2 OUTLIER 175.48 -59.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' GLU . 11.3 mmtt -80.44 161.71 24.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm 68.33 -64.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 110.207 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.0 mt -53.67 -32.44 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.68 -77.46 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.87 -45.05 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.66 -53.13 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.787 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.19 -55.27 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.02 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.0 -47.74 82.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.605 1.191 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.22 -64.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.375 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.939 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.16 -55.52 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.741 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -64.87 4.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.02 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.4 tmtt? -140.8 27.5 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.221 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 16.9 mt-10 -144.72 8.15 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.827 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.35 33.03 3.51 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.55 49.5 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -98.4 13.23 32.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.702 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.22 22.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 111.03 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.86 143.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.704 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.573 1.828 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.749 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.74 -18.3 65.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.6 t70 -33.79 -39.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.2 -32.59 16.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.7 -4.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.12 149.41 41.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.2 Cg_endo -75.08 118.74 5.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 49.09 7.13 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.606 ' OG ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -84.61 -0.27 52.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 0.811 . . . . 0.0 110.038 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.863 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.9 m95 -97.31 -7.79 31.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 108.084 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.2 -26.43 0.54 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -34.6 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.952 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.33 -24.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.63 -56.37 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 1.045 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.91 -12.69 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.94 -76.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.13 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.06 -37.81 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.961 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.9 mm-40 -71.37 -18.12 62.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -155.16 61.84 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.794 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -81.6 0.18 39.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 mtm -78.32 -6.42 55.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.898 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.2 pt -101.15 -14.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.898 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -131.01 143.89 51.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.816 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 90.38 -27.26 8.74 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.32 -46.56 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -108.53 -16.3 14.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -128.21 -101.85 1.09 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.623 ' N ' ' H ' ' A' ' 66' ' ' GLY . 1.5 tp10 178.08 73.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.13 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.25 -21.09 47.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.25 -45.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.395 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.23 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.943 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.7 t90 -57.24 -48.7 78.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.59 -51.43 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.19 -37.85 86.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.05 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.59 -56.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.71 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.31 -32.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.194 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.57 -50.25 53.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.82 -44.07 63.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.737 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.64 -23.02 62.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.36 -34.71 70.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.623 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.94 -48.85 74.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.16 65.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.88 -32.79 59.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.677 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 64.82 -19.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 0.803 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.77 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.22 -46.39 9.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.979 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.96 -28.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.193 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.58 -70.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.47 -22.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 1.055 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.85 -71.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.026 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.0 tp -44.45 -44.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.59 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.73 -64.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.653 1.22 . . . . 0.0 109.922 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.36 -48.4 67.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.102 . . . . 0.0 109.919 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.305 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.09 -23.23 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.85 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 108.354 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -96.92 -44.05 7.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.95 -30.77 70.43 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.305 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.3 -73.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.6 t -108.12 46.08 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.593 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.88 -26.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt 66.21 -68.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -150.75 -43.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.4 m -34.3 110.73 0.39 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.059 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.93 178.25 7.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.574 1.829 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 43.9 t 179.83 -78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' SER . 2.0 mptp? -145.36 -47.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -42.52 -91.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 68.86 176.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.67 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.92 -57.93 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.916 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.42 -50.24 62.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -40.01 -44.11 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.975 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.43 -65.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.007 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 25.3 m -52.25 -34.58 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.14 -66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.026 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.67 -47.23 55.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.852 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.08 0.38 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.007 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.78 28.03 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.19 7.05 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 1.007 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.4 34.14 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.17 49.51 2.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.49 8.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.86 11.48 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.653 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.02 177.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.973 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.99 17.59 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.776 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.2 t -68.4 -23.25 64.63 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.433 1.083 . . . . 0.0 110.181 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.2 -31.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.979 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.67 -34.62 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.97 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.2 m-30 -55.2 -12.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -134.58 128.76 19.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.928 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.12 24.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.88 58.1 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.65 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.43 14.27 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.796 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.3 m95 -97.38 -0.73 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 107.936 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.2 -19.82 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.38 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.05 -40.9 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.937 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.35 -18.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.63 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.66 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.71 -13.05 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.398 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.35 -71.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.079 ' CD2' HD13 ' A' ' 65' ' ' LEU . 1.4 mp -59.57 -41.97 91.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -34.55 65.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.57 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.723 ' HB2' HD11 ' A' ' 64' ' ' ILE . 12.5 mtt-85 -154.48 66.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.43 0.17 20.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -11.09 51.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 1.195 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 61' ' ' ARG . 5.2 pt -103.28 18.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.079 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 tp -109.21 -132.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.602 ' H ' HD23 ' A' ' 65' ' ' LEU . . . 102.6 63.77 0.72 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.05 -0.88 13.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -178.66 36.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.88 -101.75 0.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.58 1.175 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -66.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp -146.68 19.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.72 -44.89 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.7 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.2 m -58.75 -43.44 90.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.8 t90 -56.33 -39.23 72.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.25 -46.76 56.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.11 -57.75 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.21 -60.11 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.37 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.283 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.58 -47.81 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.224 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.6 -44.27 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.651 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.06 -24.51 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.73 -37.82 73.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.35 -48.71 80.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -20.87 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.7 -46.86 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 1.036 ' H2 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 -88.17 -34.75 17.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.24 -40.2 90.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.036 HG21 ' H2 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -47.36 -50.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.199 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.72 -43.29 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.41 -37.4 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.31 -59.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.69 -41.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.699 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.14 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.18 -49.37 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.977 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.53 -60.45 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.13 -50.89 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 108.363 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.4 m -50.1 -37.4 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.381 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.804 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.8 t -108.3 46.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.54 -24.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER 63.66 -75.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -143.04 -43.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.588 ' C ' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -21.78 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -179.66 5.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.411 1.743 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 161.7 -67.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 22' ' ' SER . 0.9 OUTLIER 160.34 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.408 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.863 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER 70.98 4.68 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.22 -93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.9 mt -50.59 -33.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.72 -55.04 19.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.57 -56.04 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.746 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.02 -40.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.82 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.27 -74.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.59 -30.84 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.649 1.218 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.69 -48.33 26.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.28 2.28 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.597 1.186 . . . . 0.0 110.345 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.82 26.45 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.53 5.82 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.8 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.6 43.42 1.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.76 9.17 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.309 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.09 11.65 27.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 111.116 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.66 105.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -8.03 19.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.19 -10.63 55.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.09 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.09 -36.05 49.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.65 3.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -118.7 144.38 35.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.43 64.46 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.67 -18.15 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.936 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.44 -22.71 16.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.869 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.84 -28.45 0.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.869 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.8 Cg_endo -75.06 -31.84 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.58 -24.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.0 -56.32 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.16 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.13 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.39 -38.44 53.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.35 -36.18 75.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.54 -21.93 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.23 70.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.954 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -75.56 -21.61 57.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.56 ' HB3' HD12 ' A' ' 64' ' ' ILE . 23.4 ttm -76.99 2.04 16.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -145.42 51.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 66' ' ' GLY . 6.6 tt -103.13 179.28 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.741 ' N ' HD23 ' A' ' 65' ' ' LEU . . . -86.45 26.16 6.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -119.32 -43.95 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t 73.95 -54.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.13 -63.55 1.29 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.388 1.055 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 71' ' ' LEU . 4.0 tt0 -172.9 -72.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 0.752 . . . . 0.0 110.347 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -178.9 31.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -66.2 -45.7 79.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.863 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.8 -46.66 88.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 67.8 t90 -57.37 -27.37 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 108.007 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.47 -61.25 6.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.417 1.073 . . . . 0.0 111.033 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.1 tt -60.9 -44.12 97.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.17 -58.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.895 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.63 -59.26 2.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.09 -31.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.064 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.68 -48.06 56.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.84 -44.17 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.89 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.01 -24.12 63.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.26 -35.32 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.635 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.33 -49.71 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -16.18 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.21 -44.02 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.634 ' CA ' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.711 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 67.19 -50.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.346 0.674 . . . . 0.0 110.262 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.76 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.75 -44.4 73.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.62 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.219 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.72 -47.74 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.52 -34.44 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.37 1.044 . . . . 0.0 109.382 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.75 -40.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.804 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.96 -68.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.185 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -53.88 24.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.712 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.8 t -36.78 -55.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.221 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.771 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.81 -59.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.36 -31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.44 -80.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.86 48.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.15 -14.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.771 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 58.46 -172.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.516 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 1.8 m -62.28 -47.59 83.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' THR . 42.8 t -37.83 103.47 0.26 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.87 179.38 6.1 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.617 1.851 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 154.45 49.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 12.2 mptt 68.7 157.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? 80.51 -50.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.55 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.15 -37.73 47.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.224 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.75 -77.22 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.416 1.072 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.13 -40.02 14.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.604 0.826 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.4 -54.11 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.13 -50.39 4.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.212 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.0 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.81 -69.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.3 -47.41 61.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.176 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.29 5.81 5.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.594 1.184 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.212 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.84 31.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.58 -4.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.74 28.24 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.89 43.15 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.41 13.18 27.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.627 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.42 8.15 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.9 p 148.55 110.51 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -6.49 17.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.33 -12.81 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.997 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.6 t0 -35.47 -35.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.7 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.95 -12.84 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -100.54 144.89 29.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.054 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.63 58.61 1.18 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.22 0.71 57.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.7 m95 -98.63 -17.0 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.906 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.33 0.47 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.906 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -39.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.29 -21.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.23 -59.59 5.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.19 -14.96 58.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.19 -68.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.082 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.58 -43.89 92.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.19 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.72 -32.54 67.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.9 63.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -71.26 -5.61 33.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.504 ' C ' HD12 ' A' ' 64' ' ' ILE . 26.4 mmm -94.52 10.64 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.936 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -102.57 -10.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.018 ' CD1' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.73 -158.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.5 81.65 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 30.35 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t 177.22 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.85 -98.5 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 -73.92 0.67 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp -138.33 23.51 2.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.84 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.43 -44.21 89.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.082 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.6 t90 -53.67 -31.22 46.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.727 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.28 -50.39 68.19 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.628 1.205 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.52 -44.7 95.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.34 -59.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.64 -58.19 5.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.727 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.84 -31.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.5 -48.46 48.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.54 -44.29 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.79 -23.39 63.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.63 -35.69 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.44 -50.07 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.68 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.63 -34.85 46.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -55.54 -10.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.184 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.885 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.78 -37.46 17.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.071 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.71 -28.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.44 -66.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.84 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.99 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.3 -73.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.78 -39.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.84 -70.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -54.66 -45.08 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.85 -57.8 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.987 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t -33.69 -51.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.87 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.3 m -47.08 -33.6 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.33 -72.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.864 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.33 -50.6 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' PRO . . . -60.37 -12.81 26.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.93 -172.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -107.06 13.14 27.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -86.24 -63.1 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.96 -175.61 2.44 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.564 1.823 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 11.1 t -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -73.26 124.92 26.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER 35.15 50.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.23 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.6 mt -50.83 -31.97 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.4 -64.28 3.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.158 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.58 -46.39 39.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.682 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.42 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.9 mt -81.1 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.8 m -50.74 -27.7 7.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.158 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.71 -68.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.87 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.789 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.45 -1.65 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.741 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.8 mm-40 -133.06 4.86 3.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.52 21.08 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.01 28.69 7.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.37 0.688 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -110.93 152.73 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.06 -21.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.29 169.17 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.903 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.6 Cg_endo -74.92 21.5 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.387 1.73 . . . . 0.0 111.053 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.6 t -70.5 -19.79 62.9 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.84 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.071 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.51 -34.13 18.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 1.045 ' CD1' HG21 ' A' ' 4' ' ' VAL . 9.9 m-30 -54.72 -13.37 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.21 133.18 8.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.603 1.844 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.42 68.08 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.659 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.34 11.32 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 0.725 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.976 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.68 -1.75 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 108.035 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.936 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.64 -20.98 0.43 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.388 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.936 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.9 Cg_endo -75.15 -44.42 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.22 -22.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -61.02 -57.24 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.12 -13.31 59.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.179 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.47 -44.4 84.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.26 -36.99 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.03 -24.37 60.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -160.07 67.9 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -64.42 -19.92 65.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.851 ' C ' HD12 ' A' ' 64' ' ' ILE . 11.6 mmt -72.53 -0.96 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.851 HD12 ' C ' ' A' ' 63' ' ' MET . 2.7 mp -125.0 37.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.148 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.5 tp -104.87 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.764 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -44.66 -45.84 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -118.57 143.01 47.06 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.508 0.77 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 p -74.04 -6.44 47.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.07 -93.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 2.2 tt0 -146.38 -72.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.35 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.078 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp 174.57 39.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -55.99 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.85 -41.46 64.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.179 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.0 t90 -58.9 -30.08 67.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.82 -53.9 39.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.17 -48.33 73.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 0.0 109.383 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.7 p -63.92 -56.11 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.66 -58.02 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.4 -28.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.136 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.42 -47.75 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.205 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.976 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.82 -43.31 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.76 -24.66 66.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -15.61 61.42 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.34 -59.27 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' HA3' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.805 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 66.12 -44.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.59 -43.55 98.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.19 -50.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.53 -41.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.805 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.07 -39.51 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.99 -62.17 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.693 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.54 -44.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.403 1.065 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.56 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 43.8 t -69.13 -66.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.28 -48.26 79.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.147 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.46 -62.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.4 t -33.54 -47.7 0.24 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 108.333 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.53 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.86 -27.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.236 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.55 -33.82 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -66.76 -3.92 23.83 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -33.03 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 0.817 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.816 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -63.05 33.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 110.381 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.704 ' H ' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -22.56 -49.18 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.816 ' HD2' ' C ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.791 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.3 t -114.96 -26.9 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 81.27 148.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER 80.62 14.28 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 23' ' ' LYS . 10.9 mp0 -76.35 -83.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.65 -45.79 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.07 33.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.75 -54.51 41.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.25 -42.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.996 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.71 -34.46 18.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.112 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.68 -67.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.2 -49.59 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.56 0.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.996 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.57 2.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.9 mm-40 -140.51 6.99 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.45 22.0 6.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.399 1.062 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.07 39.37 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.13 4.98 25.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.716 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.51 11.21 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.716 ' CB ' ' O ' ' A' ' 40' ' ' MET . 26.0 t 136.74 118.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 110.038 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.97 -2.28 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.822 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.09 -14.44 62.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.0 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.89 -32.94 72.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.5 -11.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -119.36 148.57 45.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.29 63.97 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.77 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.27 -15.88 14.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 0.0 110.091 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.958 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.0 m95 -96.83 -16.64 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.858 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.48 -28.24 0.5 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.858 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -74.98 -34.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.398 1.736 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.112 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.58 -22.81 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.0 -60.7 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.62 -11.69 60.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.88 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.093 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.87 -42.06 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.093 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.2 t -53.04 -36.5 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 60' ' ' GLN . 2.0 tp-100 -73.45 -21.61 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.58 70.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.11 -11.65 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -8.83 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.43 57.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.173 HD13 ' CD2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -97.43 -129.4 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.883 ' H ' HD23 ' A' ' 65' ' ' LEU . . . -85.48 -71.31 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.591 1.182 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -170.89 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 0.807 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -77.37 -12.07 59.91 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.397 1.06 . . . . 0.0 109.946 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 68' ' ' SER . . . -37.09 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 6.4 tt0 -174.26 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.173 ' CD2' HD13 ' A' ' 65' ' ' LEU . 14.9 mt -158.97 22.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.91 -46.26 91.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.4 t90 -59.2 -37.8 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.19 -47.54 41.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.5 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.18 -57.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.08 -60.84 2.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.74 -29.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.236 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.48 -49.71 25.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 0.813 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.958 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.85 -44.0 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.649 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.82 -24.09 62.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.88 -34.83 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.1 -50.68 65.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.71 -27.95 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 12.19 35.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.648 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.623 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 -56.6 -8.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.59 -39.31 16.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.074 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.83 -26.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.09 -68.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.73 -22.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.38 -70.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.915 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.93 -45.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.676 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.879 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.28 -52.63 62.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.8 -21.61 7.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.852 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.26 -59.73 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.84 -45.09 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.879 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.88 -30.4 71.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.48 -69.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -98.02 -48.62 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 108.284 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -60.46 -20.19 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt 27.83 -87.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.365 0.685 . . . . 0.0 109.245 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 17' ' ' GLY . 30.1 m -34.88 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 23.3 t -32.85 107.56 0.28 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.093 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -44.17 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.78 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 171.06 59.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 5.6 mtmp? -142.92 110.79 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.1 mmtm 89.21 -31.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.1 tt0 -43.37 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.6 mt -52.73 -33.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.81 -77.1 0.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.06 -40.3 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.676 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.3 -54.3 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.94 -51.28 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.615 1.197 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.69 -34.09 64.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.98 -66.27 0.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.49 -47.98 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.96 -1.47 5.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.73 25.05 3.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.692 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.45 5.09 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.9 38.09 20.57 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.23 44.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.374 0.691 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.38 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.82 -29.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.16 163.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.926 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.861 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.05 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.75 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.93 -19.5 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.98 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.074 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.7 -34.64 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.39 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 1.029 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.06 -14.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.27 122.99 10.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.056 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.26 15.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.411 1.743 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.46 53.01 2.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.419 1.074 . . . . 0.0 111.089 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.643 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.52 12.51 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.36 -0.78 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.071 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.98 -20.43 0.39 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.974 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.5 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.579 1.831 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.29 -25.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.781 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.55 -51.44 56.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -15.11 61.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.692 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.56 -74.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.135 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.68 -34.36 11.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 109.379 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.135 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.17 -35.73 77.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -67.56 -30.6 70.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HD2' HD13 ' A' ' 64' ' ' ILE . 1.3 mtt85 -155.04 62.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.626 1.204 . . . . 0.0 110.28 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.56 -38.97 88.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.3 mtt -72.62 -9.44 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.715 ' O ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.5 64.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.32 -146.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.598 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -54.7 -46.12 76.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.0 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLY . 59.4 p -59.98 -28.81 67.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -36.08 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 4.5 tt0 -165.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 110.302 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -168.35 22.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.79 -48.01 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.37 -47.55 85.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.2 t90 -62.15 -49.72 74.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 108.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.83 -52.94 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.59 80.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.897 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -67.94 -57.01 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.78 -54.67 10.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.42 -47.81 62.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.94 -44.73 70.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.14 -23.11 62.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.02 -52.48 55.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.85 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -65.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.814 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 5.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.36 -52.02 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.02 -30.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.712 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 ' CB ' ' A' ' 45' ' ' LEU . 11.8 p -67.53 -72.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.958 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.43 -41.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.226 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.97 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.839 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.78 -46.2 83.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.272 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.4 -21.29 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.79 -63.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.406 1.066 . . . . 0.0 108.231 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.688 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.62 -45.75 7.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.839 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.7 m -60.08 -26.74 66.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.92 -74.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.86 40.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.688 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.87 3.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -34.64 155.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER 69.01 7.98 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.3 m -81.29 147.68 61.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -75.04 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER 165.49 115.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -139.82 -113.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.61 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -90.83 22.79 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.19 -32.65 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.53 -77.07 0.13 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.217 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.22 -48.17 54.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.77 -49.32 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.072 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -57.15 2.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.056 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -51.93 -37.23 51.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.217 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.33 -67.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.611 1.195 . . . . 0.0 109.356 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.17 -47.02 69.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.924 ' HG2' HD23 ' A' ' 39' ' ' LEU . 6.0 tm0? -69.24 1.04 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.056 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.86 25.92 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.935 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.9 9.76 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.25 36.54 50.35 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.432 1.083 . . . . 0.0 111.08 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.6 mp -124.16 33.57 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.384 0.697 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.75 97.1 7.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.4 159.8 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 0.88 8.37 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.795 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.91 -16.83 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.0 t70 -45.99 -22.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.77 -32.74 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.8 -11.32 0.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.6 t -138.7 131.05 15.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.94 43.73 93.1 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.564 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.6 7.3 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.909 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.5 m95 -96.12 -2.44 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -24.13 0.52 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.98 -35.25 3.27 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.595 1.839 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.962 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.54 -20.65 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.083 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.955 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.61 -51.86 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.32 -15.35 60.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.46 -67.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.47 -40.25 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.934 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.45 -37.49 83.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.44 -31.58 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.612 ' HB3' HD12 ' A' ' 64' ' ' ILE . 31.8 mtt-85 -142.71 54.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.765 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.38 1.18 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -6.42 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.919 ' C ' HD23 ' A' ' 65' ' ' LEU . 4.5 mt -98.8 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.25 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.919 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -129.23 144.23 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.792 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 92.15 -26.93 11.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -117.48 -64.44 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.95 0.64 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -144.61 -106.57 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.417 1.073 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.636 ' N ' ' H ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER 176.71 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.205 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -50.47 -21.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -45.06 -41.72 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.92 -43.32 91.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 1.027 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.2 t90 -54.49 -51.25 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.81 -51.52 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.09 -40.89 97.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.396 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.85 -57.8 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.955 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.2 -58.86 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.25 -27.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.46 -52.25 34.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.0 tp -50.98 -44.07 60.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.606 1.191 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.4 -24.56 62.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.84 -35.2 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.29 -50.84 66.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.62 66.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -85.23 -37.0 20.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.919 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -84.89 -40.89 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.033 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -40.56 -34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.214 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.35 -55.36 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER -52.39 -42.06 63.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -60.32 -64.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.048 HD11 ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp -44.36 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -72.61 -65.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 1.024 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -59.16 -53.14 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.269 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -44.14 -54.8 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.056 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 45.0 t -40.3 -58.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.653 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -93.72 -57.1 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.024 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.5 m -49.76 -30.87 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.269 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -69.7 -76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.76 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.2 t -111.4 47.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -164.76 -18.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.837 ' HD3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.515 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 36.1 tt0 -47.98 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mt -54.48 -33.37 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.76 -82.01 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.056 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -50.54 -46.48 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.649 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -40.02 -47.4 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.839 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -95.01 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.946 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.5 m -55.82 -42.35 75.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.053 HD12 ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -63.22 -62.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.048 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -68.38 -47.74 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.1 tt0 -68.88 3.01 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.946 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.7 ttmt -136.34 21.91 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.698 ' CB ' HG12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -136.96 8.55 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.692 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 96.8 27.15 9.83 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.888 HD23 HG13 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -121.48 50.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -91.06 17.14 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.3 tpp -91.61 10.21 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 40' ' ' MET . 1.2 p 94.1 177.75 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.896 ' HG3' HG23 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.99 18.41 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.73 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 1.2 m -68.88 -23.21 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.2 OUTLIER -39.18 -40.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.033 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 1.2 tt -61.61 -33.39 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 1.012 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.8 m-30 -56.12 -4.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' LEU . 13.7 t -127.69 137.23 30.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.98 128.88 11.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.63 46.05 86.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -96.57 15.21 22.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.98 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.938 ' HB2' HD13 ' A' ' 81' ' ' LEU . 28.9 m95 -95.85 -3.46 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.924 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.18 -23.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.924 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.99 -34.47 3.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.053 ' CD1' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.23 -18.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.836 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -72.59 -53.52 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -12.85 61.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.667 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -66.93 -71.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.124 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.37 -36.63 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.124 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.83 -36.99 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -21.2 63.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -164.41 66.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 1.015 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.079 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.71 ' O ' HD22 ' A' ' 76' ' ' LEU . 6.5 mmtt -51.79 -46.08 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.914 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.0 m -58.71 -46.0 88.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.855 ' CE3' HD23 ' A' ' 71' ' ' LEU . 3.6 t90 -59.27 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.94 -49.42 2.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.09 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.837 HD23 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -65.07 -41.1 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.977 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -69.53 -56.83 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.836 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -31.27 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.265 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.33 -47.46 64.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.938 HD13 ' HB2' ' A' ' 51' ' ' TRP . 2.0 tp -51.62 -43.51 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.72 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.14 -24.29 64.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.11 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.88 -44.99 91.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.41 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -77.63 -23.6 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.758 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.39 -39.77 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.016 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.75 -29.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.224 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.42 -67.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 10' ' ' SER . 86.1 tttt -49.31 -21.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 45' ' ' LEU . 12.3 p -67.64 -70.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.004 HD11 ' HG ' ' A' ' 33' ' ' LEU . 5.5 tp -45.95 -48.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.603 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 77.3 p -60.77 -61.61 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.857 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -68.43 -52.58 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.366 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.61 -20.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -73.25 -63.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -97.02 -41.41 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.857 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -64.54 -29.28 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.366 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -60.61 -70.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.7 -47.65 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.334 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -62.16 -15.56 50.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.66 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -47.22 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' MET . 3.3 mt -51.38 -33.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.69 -60.84 5.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.071 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -50.18 -53.52 27.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.626 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.38 -43.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.837 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -95.23 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.987 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 69.1 m -52.72 -34.72 53.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.071 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -68.19 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.004 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.79 -45.02 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.837 ' N ' ' O ' ' A' ' 30' ' ' LEU . 10.3 tt0 -70.57 0.87 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.987 ' CB ' ' O ' ' A' ' 31' ' ' SER . 4.9 ttmm -139.39 26.14 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.764 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 4.8 mm-40 -140.08 7.7 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 95.62 27.4 10.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -123.2 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -94.45 24.65 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.09 4.17 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.1 p 99.81 174.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 17.46 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.4 t -67.86 -25.28 65.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' SER . 5.3 t70 -33.55 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.016 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -71.58 -35.91 70.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.966 ' CD1' HG21 ' A' ' 4' ' ' VAL . 13.7 m-30 -54.7 -10.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' LEU . 19.1 t -138.14 129.87 15.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.14 17.38 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.38 56.69 4.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -123.24 11.94 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 11.3 m95 -95.4 -2.1 49.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.919 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.12 -20.95 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.919 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.0 -35.44 3.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.95 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -75.79 -26.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.821 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.1 m -67.05 -52.59 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.84 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.764 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -64.67 -75.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.181 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.46 -35.72 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.059 ' N ' HD22 ' A' ' 58' ' ' LEU . 3.1 t -62.91 -37.88 88.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.87 -24.91 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.181 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -40.44 -41.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.66 HG21 ' HB3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.73 -48.61 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.155 ' CE3' HD23 ' A' ' 71' ' ' LEU . 2.0 t90 -62.86 -33.34 75.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.11 -52.78 25.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -66.64 -41.05 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -65.51 -57.26 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.866 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.71 -58.09 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.81 -30.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.157 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.54 -47.95 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.8 tm? -52.52 -44.72 65.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.785 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.36 -23.41 63.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.01 -35.8 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.65 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.45 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -20.14 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -13.54 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.586 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.844 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -85.45 -37.63 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.041 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.19 -27.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.168 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.17 -66.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -50.57 -20.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.956 HG11 ' HB2' ' A' ' 45' ' ' LEU . 9.5 p -65.99 -70.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.029 HG23 ' HG3' ' A' ' 29' ' ' MET . 3.9 tp -42.45 -45.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.22 -64.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.762 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -65.09 -49.41 70.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.262 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.48 -20.62 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.014 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 7.5 t -73.93 -60.57 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.973 ' NZ ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.5 -50.28 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.762 ' N ' ' O ' ' A' ' 10' ' ' SER . 91.4 m -56.35 -30.38 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -69.58 -70.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -105.21 46.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.557 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -166.62 -27.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' GLY . 1.1 mptm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.336 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.7 tt0 -46.58 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.8 mp -53.17 -32.2 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -52.1 -67.46 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.014 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -47.96 -47.43 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.029 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.7 -53.25 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.928 HD13 ' SD ' ' A' ' 29' ' ' MET . 1.1 tp -86.5 -53.77 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.167 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -63.66 -54.13 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.055 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -47.74 -56.92 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.92 -57.93 3.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.752 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tm0? -71.69 11.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.2 tmtt? -138.55 20.52 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 46.3 mt-10 -136.37 5.87 3.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.62 27.44 73.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -137.79 43.93 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -112.84 133.42 54.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.53 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.9 ttt -144.58 -26.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.1 OUTLIER 158.08 162.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.875 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 19.67 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 46' ' ' TYR . 3.6 m -73.57 -18.35 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 5.6 t70 -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.041 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -79.14 -33.65 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 1.009 ' CD1' HG21 ' A' ' 4' ' ' VAL . 14.2 m-30 -56.87 -12.93 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.6 t -146.51 125.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.17 17.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.76 51.65 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.666 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.85 15.73 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.952 ' CB ' HD22 ' A' ' 81' ' ' LEU . 26.2 m95 -96.71 -1.15 47.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.945 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t70 -77.65 -19.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.945 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -74.99 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.01 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.37 -20.75 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.909 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.3 m -66.02 -49.64 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.53 -13.98 60.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 36' ' ' GLU . . . -65.31 -72.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.128 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.93 -38.54 56.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.128 ' N ' HD22 ' A' ' 58' ' ' LEU . 4.7 t -58.58 -36.88 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.94 -23.8 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.12 66.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 1.042 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.046 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.04 -45.81 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' HD3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.89 -46.37 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.977 ' CE3' HD23 ' A' ' 71' ' ' LEU . 1.3 t90 -60.57 -45.83 92.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.69 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -40.75 -49.54 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.973 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -63.53 -42.17 98.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.055 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.83 -57.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.909 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.83 -58.8 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.46 -27.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -67.71 -52.58 35.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.952 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.8 tp -50.28 -43.72 53.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.685 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.78 -25.3 62.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.45 -36.59 76.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -62.86 -47.33 83.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -73.17 -19.24 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.55 -21.98 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.731 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.89 -44.06 97.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.979 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.71 -53.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.067 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.49 -39.07 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.71 ' HB3' ' HA ' ' A' ' 3' ' ' ALA . 4.3 ttmm -52.05 -41.12 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -71.08 -64.89 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -41.35 -45.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.591 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.0 t -66.06 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -64.24 -46.38 84.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.299 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.34 -24.72 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG23 ' A' ' 77' ' ' VAL . 47.4 t -73.5 -58.14 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.784 ' O ' ' N ' ' A' ' 18' ' ' LYS . 4.9 ttpm? -93.89 -53.33 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.832 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.6 m -54.52 -29.89 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.299 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -68.7 -74.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.04 -47.3 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -55.07 -18.33 12.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.784 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.0 tttt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 73' ' ' THR . 3.1 mttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 5.7 mp0 -73.13 -76.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.5 mm -49.47 -39.56 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.13 -42.2 61.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.878 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -56.24 -53.83 52.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.889 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -37.01 -45.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.889 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -85.16 -71.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.015 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -55.56 -47.88 75.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -51.66 -59.34 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.011 ' CD1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.78 -52.28 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.849 ' OE1' HD23 ' A' ' 30' ' ' LEU . 27.9 mt-30 -67.86 4.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.015 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.0 tptt -138.97 23.65 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.705 ' CD ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -141.56 7.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.48 41.89 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.011 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.7 mp -141.43 46.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 34' ' ' GLN . 2.6 tp -112.33 12.58 20.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.65 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -102.09 1.95 36.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.9 m 145.93 120.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -74.99 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.843 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.77 -12.95 61.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' SER . 19.1 t70 -37.17 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -55.51 -35.38 65.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.757 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.6 m-30 -55.05 -12.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -95.98 147.44 32.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 107.92 2.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 87.48 69.0 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.793 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -100.27 -4.95 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.954 ' HB2' HD13 ' A' ' 81' ' ' LEU . 75.2 m95 -93.85 -26.75 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.818 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -71.16 -32.09 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.6 Cg_endo -74.97 -27.95 9.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.78 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.923 ' CD1' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.97 -18.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.911 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -73.75 -55.92 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -75.67 -27.38 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.705 ' HB3' ' CD ' ' A' ' 36' ' ' GLU . . . -58.99 -61.6 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.954 ' CD1' ' HB2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -59.86 -44.53 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -55.68 -38.85 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -68.01 -21.56 65.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -114.35 -75.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.5 tp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -56.5 -50.28 72.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.82 -43.26 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.954 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 33.8 t90 -51.81 -36.92 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -57.55 -49.2 75.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 3.8 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.929 HG23 ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -64.97 -53.92 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.911 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -70.78 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -35.4 -30.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.174 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.11 -50.82 52.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.954 HD13 ' HB2' ' A' ' 51' ' ' TRP . 12.2 tp -52.62 -41.73 63.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.613 ' HE2' HD11 ' A' ' 78' ' ' LEU . 1.6 mptp? -68.75 -24.32 64.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -68.98 -35.63 76.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.661 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.43 -50.86 65.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -20.02 66.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -85.36 -58.26 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.73 -35.04 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.948 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.76 -53.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.71 -44.69 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.5 mmtp -46.03 -39.53 9.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.067 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.83 -65.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.34 -40.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.1 -64.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.64 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.29 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -22.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.2 -65.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.1 -43.24 8.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.9 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.29 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.23 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -104.83 46.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -163.98 -29.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.12 -88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.1 mt -53.55 -32.55 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.64 -77.58 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.67 -45.19 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.59 -53.07 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.786 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.21 -55.28 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.019 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.01 -47.73 82.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.21 -64.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.94 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.03 -55.58 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.92 4.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.019 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.3 tmtt? -140.82 27.6 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 17.0 mt-10 -144.83 8.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.826 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.3 32.98 3.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.54 49.58 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.4 13.28 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.701 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.31 22.35 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.701 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.79 143.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.703 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.96 -3.05 13.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.748 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.92 -18.18 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.7 t70 -33.76 -39.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.067 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.18 -32.5 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.84 -4.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.543 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.18 149.41 41.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.02 118.79 5.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.13 49.0 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.57 -0.3 52.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.864 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.8 m95 -97.33 -7.86 31.0 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.21 -26.4 0.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.97 -34.6 3.73 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.34 -24.76 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.59 -56.36 12.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.97 -12.54 60.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.96 -76.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.128 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.04 -37.85 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.962 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.8 mm-40 -71.36 -18.1 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.01 61.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.128 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.47 -45.26 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.17 77.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.941 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.8 t90 -57.22 -48.75 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.55 -51.42 2.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.2 -37.89 86.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.049 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.63 -56.9 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.72 -59.16 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -32.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.195 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.53 -50.27 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.864 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.84 -44.08 63.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.738 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.62 -23.02 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.26 -34.71 70.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.622 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.01 -48.83 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.21 65.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.8 -32.85 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.772 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.19 -46.33 9.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.978 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.99 -28.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.192 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.56 -70.31 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.44 -22.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.79 -71.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.027 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.1 tp -44.42 -44.1 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.588 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.66 -64.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.37 -48.37 67.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.307 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.04 -23.27 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.82 -63.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.594 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -97.07 -44.0 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.307 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.26 -73.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.7 t -108.12 46.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.594 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.9 -26.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 68.8 176.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.79 -32.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.99 -57.91 7.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.45 -50.29 62.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -39.76 -44.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.854 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.36 -65.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.004 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 24.9 m -52.16 -34.62 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.11 -66.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.027 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.59 -47.25 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.854 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.12 0.4 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.004 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.75 27.9 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.11 7.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 1.006 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.34 34.06 4.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.13 49.49 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.95 11.58 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.01 177.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 17.67 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.777 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.0 t -68.47 -23.31 64.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.19 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.978 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.64 -34.62 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.972 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.4 m-30 -55.13 -12.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -134.59 128.81 19.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.19 23.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 58.09 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.651 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.46 14.16 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.732 . . . . 0.0 109.968 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.4 m95 -97.24 -0.76 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.29 -19.74 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.938 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.29 -18.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.629 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.56 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.87 -13.06 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.33 -71.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.063 HD13 ' CG ' ' A' ' 74' ' ' TRP . 1.4 mp -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -34.54 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.65 71.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 12.7 mtt-85 -154.43 66.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.77 -44.96 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.699 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.1 m -58.71 -43.44 90.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.7 t90 -56.32 -39.26 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.29 -46.67 57.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.24 -44.9 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.24 -57.62 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.29 -60.06 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.282 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.57 -47.68 59.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.67 -44.29 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.8 -37.79 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.33 -48.8 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -20.97 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.61 -46.91 12.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.17 -40.23 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.029 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.36 -50.34 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.198 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.73 -43.32 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.37 -37.43 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.083 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.28 -59.76 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.7 -41.21 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.701 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.08 -67.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.22 -49.35 74.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.62 -60.36 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.19 -50.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -50.2 -37.32 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.237 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.802 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.7 t -108.21 46.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.53 -24.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.862 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.17 -93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.8 mt -50.51 -33.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.59 -55.12 18.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.59 -56.01 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.748 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.03 -40.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.821 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.25 -74.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.65 -30.81 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.67 -48.35 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.37 2.33 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.8 26.43 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.45 5.67 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 35.88 2.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.75 43.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.81 9.19 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.11 11.7 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.68 105.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 -8.12 19.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.25 -10.56 55.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.12 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.083 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.13 -36.03 50.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.7 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.0 t -118.72 144.4 35.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.39 64.35 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.746 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.61 -18.12 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.935 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.46 -22.79 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.868 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.69 -28.59 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.868 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.95 -31.86 5.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.67 -24.83 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.02 -56.27 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.14 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.07 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.49 -38.37 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.45 -36.08 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.65 -21.71 64.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.35 70.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.953 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -66.2 -45.81 79.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.862 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.81 -46.52 88.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 68.3 t90 -57.42 -27.35 62.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 107.978 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.62 -61.16 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.802 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.2 tt -60.95 -44.08 97.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.14 -58.31 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.894 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.64 -59.26 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.12 -31.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.117 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.237 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.69 -48.17 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.73 -44.1 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.888 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.2 -24.02 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.25 -35.26 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.46 -49.68 70.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -16.1 62.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.25 -43.97 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.712 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.761 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.77 -44.38 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.082 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.22 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 -47.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.712 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.43 -34.44 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.63 -40.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.803 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.93 -68.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.65 -51.36 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.186 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.21 -53.82 25.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.7 t -36.87 -55.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.79 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.38 -31.17 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.43 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.87 47.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 108.27 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.13 -14.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.45 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.16 -37.63 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.88 -77.14 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.14 -40.02 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.45 -54.03 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.11 -50.48 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.213 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.4 m -58.49 -30.67 67.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.76 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.15 -47.43 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.35 5.86 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.213 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.86 31.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.835 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.66 -4.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.69 28.26 2.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.91 43.13 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.34 13.14 27.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.625 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.41 8.19 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.8 p 148.55 110.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 -6.59 18.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.27 -12.84 61.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.7 t0 -35.62 -35.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.26 29.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.701 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.92 -12.85 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -100.67 144.93 29.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.53 58.62 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.24 0.73 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.6 m95 -98.67 -16.95 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.37 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -75.0 -39.03 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.438 1.757 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.33 -21.28 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.24 -59.54 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.23 -14.9 58.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.664 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.09 -68.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.084 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.56 -43.91 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.05 61.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.75 -32.57 67.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.88 63.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.81 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.49 -44.18 89.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.084 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.7 t90 -53.65 -31.24 46.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.726 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.22 -50.47 67.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.47 -44.7 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.29 -59.59 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.54 -58.21 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.79 -31.04 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.58 -48.36 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.68 -44.16 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.9 -23.39 63.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.47 -50.02 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.64 66.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.72 -34.75 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.593 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.884 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.65 -37.57 17.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.07 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.62 -28.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.46 -66.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.86 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.26 -73.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.85 -39.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.92 -70.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -54.65 -45.03 73.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.95 -57.75 8.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.989 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 29.0 t -33.65 -51.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.88 -64.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.1 m -46.98 -33.65 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.32 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.862 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.46 -50.48 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.266 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -60.36 -12.85 26.78 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.567 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.11 -103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.2 mt -50.84 -32.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.27 -64.22 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.159 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.74 -46.34 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.684 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.46 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.788 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.0 mt -81.04 -58.35 3.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.9 m -50.73 -27.71 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.159 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.66 -68.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.83 37.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.42 -1.7 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.743 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.9 mm-40 -133.06 4.92 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.33 21.24 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.09 28.78 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -111.0 152.7 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.04 -21.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.18 169.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.905 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 21.6 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.4 t -70.63 -19.65 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.604 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.89 -26.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.07 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.57 -34.15 18.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 1.043 ' CD1' HG21 ' A' ' 4' ' ' VAL . 10.0 m-30 -54.65 -13.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.18 133.18 8.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 128.93 11.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.38 68.11 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.658 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.27 11.38 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.978 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.7 -1.76 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.935 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.58 -21.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.935 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.05 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.17 -22.65 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -60.96 -57.24 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.178 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.49 -44.46 84.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.19 -37.02 61.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.0 -24.34 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.11 67.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.738 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.079 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -55.98 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.634 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.89 -41.44 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.178 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.1 t90 -58.84 -30.13 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.84 -53.76 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.37 -48.23 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.8 p -63.97 -56.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.74 -57.99 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.34 -29.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.137 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.16 -47.91 75.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.978 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.69 -43.39 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.82 -24.52 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.22 -37.82 78.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.65 -48.23 81.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -15.61 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -86.45 -59.27 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.804 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.706 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.54 -43.51 98.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.23 -50.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.48 -41.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.05 -39.55 56.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.064 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.92 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.56 -43.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.562 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 44.0 t -69.25 -66.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.144 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.47 -62.44 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.5 t -33.52 -47.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.89 -27.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.56 -33.77 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 108.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 13' ' ' LYS . . . -66.68 -4.05 23.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 10.9 mp0 -76.33 -83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.7 -45.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.1 -47.09 33.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.74 -54.51 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.24 -42.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.997 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.73 -34.5 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.113 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.59 -67.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.902 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.23 -49.61 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.54 0.9 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.997 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.67 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.0 mm-40 -140.47 6.92 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.48 21.99 6.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.11 39.5 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.2 4.98 25.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.715 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.59 11.36 36.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.715 ' CB ' ' O ' ' A' ' 40' ' ' MET . 25.9 t 136.76 118.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.823 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.05 -14.49 62.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.1 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.064 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.86 -32.96 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.49 -11.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 t -119.3 148.58 45.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.27 64.13 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.769 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.44 -15.79 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.959 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.1 m95 -96.86 -16.64 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.857 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.49 -28.24 0.5 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -34.9 3.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.113 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -22.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -64.99 -60.66 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.66 -11.68 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.97 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.094 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.9 -42.01 64.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.094 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.3 t -53.09 -36.46 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -73.48 -21.65 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.62 70.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.894 ' CD2' HD23 ' A' ' 58' ' ' LEU . 15.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -44.49 86.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.664 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.01 -46.17 91.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.3 t90 -59.18 -37.87 78.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.22 -47.46 42.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.59 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.96 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.04 -57.08 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.13 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.75 -29.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.45 -49.79 25.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.959 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.72 -44.06 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.83 -24.06 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.2 -50.61 65.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.76 -27.88 68.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.76 12.22 34.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.622 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.58 -39.33 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.073 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.95 -26.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.14 -68.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.83 -21.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.53 -70.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.914 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -45.0 -45.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.677 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.31 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.88 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.25 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.85 -21.53 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.851 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.3 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.82 -45.1 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.88 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.92 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.43 -69.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -97.93 -48.6 5.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' LYS . . . -60.48 -20.25 55.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 28' ' ' ALA . 2.1 mmtm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 41.2 tt0 -43.35 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.5 mt -52.71 -33.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.74 -77.16 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.01 -40.34 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.677 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.31 -54.31 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.96 -51.4 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.6 -34.18 64.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.82 -66.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.81 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.35 -48.15 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.85 -1.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.78 25.06 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.693 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.46 5.08 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.91 38.25 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.41 44.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.32 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.77 -29.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.19 162.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.864 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.14 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.91 -19.58 61.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.9 -30.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.073 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.92 -34.54 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 1.028 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.09 -14.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.29 122.97 9.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.49 53.06 2.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.644 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.5 12.43 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.001 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.43 -0.74 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -75.01 -20.41 0.39 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.975 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.1 Cg_endo -75.04 -36.07 2.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.066 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.36 -25.03 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.783 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.45 -51.53 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.14 61.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.693 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.53 -74.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.134 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.7 -34.3 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.134 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.2 -35.73 77.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tm0? -67.5 -30.73 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -154.92 62.02 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.91 -47.97 72.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.36 -47.48 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.1 t90 -62.15 -49.8 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.84 -52.91 1.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.57 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.04 -56.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.79 -54.74 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.39 -47.79 63.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.98 -44.77 71.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.725 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.08 -23.03 63.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.04 -52.53 55.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.8 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.3 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.42 -51.96 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.1 -30.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.965 HG11 ' CB ' ' A' ' 45' ' ' LEU . 12.0 p -67.48 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.956 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.5 -41.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.04 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.838 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.75 -46.15 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.055 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.47 -21.29 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.8 -63.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.687 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.72 -45.68 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.6 m -59.99 -26.84 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.99 -74.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.87 40.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.259 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.83 3.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.19 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.11 -32.67 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.49 -77.08 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.15 -48.3 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.72 -49.38 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.1 -57.22 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.055 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -52.0 -37.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.4 -67.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.961 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.18 -47.03 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.926 ' HG2' HD23 ' A' ' 39' ' ' LEU . 5.9 tm0? -69.36 1.15 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.055 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.89 25.95 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.934 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.95 9.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.24 36.59 50.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.5 mp -124.18 33.51 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.72 97.11 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.44 159.81 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.02 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.793 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.95 -16.78 53.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.1 t70 -46.05 -22.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.83 -32.61 27.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.83 -11.25 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.5 t -138.71 131.08 15.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.54 42.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 43.72 93.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.54 7.29 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.3 m95 -96.15 -2.49 46.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.95 -24.17 0.53 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -35.27 3.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.961 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.49 -20.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.954 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.52 -51.94 25.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.28 -15.35 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.4 -67.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.48 -40.17 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.933 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.49 -37.51 82.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.47 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.67 54.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -41.65 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.99 -43.37 91.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.023 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.3 t90 -54.53 -51.16 66.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.82 -51.61 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.12 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.97 -57.71 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.954 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.27 -58.84 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.2 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.4 -52.28 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.9 tp -50.99 -44.09 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.3 -24.68 62.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.47 -50.72 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.65 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.24 -36.91 20.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.72 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.72 -34.94 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.948 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -40.79 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.66 -44.72 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.6 mmtp -46.07 -39.46 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.88 -65.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.44 -40.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.056 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.62 28.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.17 -22.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.32 -65.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.2 -43.26 8.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.21 -73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.5 t -104.96 46.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.351 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.01 -29.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 110.207 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.0 mt -53.67 -32.44 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.68 -77.46 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.87 -45.05 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.66 -53.13 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.787 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.19 -55.27 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.02 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.0 -47.74 82.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.605 1.191 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.22 -64.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.375 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.939 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.16 -55.52 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.741 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.87 4.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.02 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.4 tmtt? -140.8 27.5 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.221 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 16.9 mt-10 -144.72 8.15 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.827 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.35 33.03 3.51 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.55 49.5 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.4 13.23 32.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.702 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.22 22.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 111.03 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.86 143.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.704 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.573 1.828 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.749 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.74 -18.3 65.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.6 t70 -33.79 -39.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.2 -32.59 16.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.7 -4.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.12 149.41 41.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.2 Cg_endo -75.08 118.74 5.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 49.09 7.13 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.606 ' OG ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -84.61 -0.27 52.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 0.811 . . . . 0.0 110.038 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.863 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.9 m95 -97.31 -7.79 31.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 108.084 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.2 -26.43 0.54 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -34.6 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.952 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.33 -24.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.63 -56.37 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 1.045 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.91 -12.69 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.94 -76.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.13 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.06 -37.81 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.961 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.9 mm-40 -71.37 -18.12 62.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.16 61.84 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.794 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.13 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.25 -45.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.395 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.23 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.943 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.7 t90 -57.24 -48.7 78.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.59 -51.43 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.19 -37.85 86.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.05 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.59 -56.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.71 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.31 -32.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.194 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.57 -50.25 53.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.82 -44.07 63.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.737 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.64 -23.02 62.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.36 -34.71 70.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.623 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.94 -48.85 74.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.16 65.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.88 -32.79 59.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.77 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.22 -46.39 9.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.979 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.96 -28.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.193 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.58 -70.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.47 -22.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 1.055 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.85 -71.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.026 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.0 tp -44.45 -44.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.59 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.73 -64.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.653 1.22 . . . . 0.0 109.922 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.36 -48.4 67.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.102 . . . . 0.0 109.919 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.305 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.09 -23.23 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.85 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 108.354 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -96.92 -44.05 7.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.95 -30.77 70.43 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.305 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.3 -73.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.6 t -108.12 46.08 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.593 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.88 -26.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 68.86 176.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.67 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.92 -57.93 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.916 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.42 -50.24 62.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -40.01 -44.11 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.975 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.43 -65.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.007 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 25.3 m -52.25 -34.58 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.14 -66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.026 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.67 -47.23 55.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.852 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.08 0.38 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.007 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.78 28.03 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.19 7.05 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 1.007 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.4 34.14 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.17 49.51 2.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.49 8.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.86 11.48 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.653 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.02 177.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.973 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.99 17.59 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.776 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.2 t -68.4 -23.25 64.63 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.433 1.083 . . . . 0.0 110.181 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.2 -31.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.979 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.67 -34.62 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.97 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.2 m-30 -55.2 -12.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -134.58 128.76 19.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.928 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.12 24.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.88 58.1 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.65 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.43 14.27 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.796 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.3 m95 -97.38 -0.73 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 107.936 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.2 -19.82 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.38 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.05 -40.9 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.937 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.35 -18.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.63 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.66 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.71 -13.05 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.398 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.35 -71.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.063 HD13 ' CG ' ' A' ' 74' ' ' TRP . 1.4 mp -59.57 -41.97 91.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -34.55 65.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.57 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 12.5 mtt-85 -154.48 66.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.72 -44.89 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.7 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.2 m -58.75 -43.44 90.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.8 t90 -56.33 -39.23 72.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.25 -46.76 56.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.11 -57.75 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.21 -60.11 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.37 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.283 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.58 -47.81 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.224 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.6 -44.27 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.651 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.06 -24.51 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.73 -37.82 73.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.35 -48.71 80.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -20.87 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.7 -46.86 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.24 -40.2 90.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.03 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.36 -50.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.199 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.72 -43.29 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.41 -37.4 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.31 -59.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.69 -41.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.699 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.14 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.18 -49.37 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.977 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.53 -60.45 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.13 -50.89 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 108.363 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.4 m -50.1 -37.4 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.381 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.804 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.8 t -108.3 46.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.54 -24.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.863 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.22 -93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.9 mt -50.59 -33.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.72 -55.04 19.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.57 -56.04 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.746 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.02 -40.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.82 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.27 -74.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.59 -30.84 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.649 1.218 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.69 -48.33 26.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.28 2.28 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.597 1.186 . . . . 0.0 110.345 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.82 26.45 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.53 5.82 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.8 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.6 43.42 1.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.76 9.17 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.309 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.09 11.65 27.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 111.116 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.66 105.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -8.03 19.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.19 -10.63 55.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.514 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.09 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.09 -36.05 49.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.65 3.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -118.7 144.38 35.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.43 64.46 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.67 -18.15 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.936 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.44 -22.71 16.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.869 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.84 -28.45 0.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.869 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.8 Cg_endo -75.06 -31.84 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.58 -24.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.0 -56.32 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.16 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.13 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.39 -38.44 53.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.35 -36.18 75.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.54 -21.93 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.23 70.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.954 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -66.2 -45.7 79.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.863 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.8 -46.66 88.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 67.8 t90 -57.37 -27.37 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 108.007 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.47 -61.25 6.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.417 1.073 . . . . 0.0 111.033 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.1 tt -60.9 -44.12 97.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.17 -58.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.895 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.63 -59.26 2.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.09 -31.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.064 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.68 -48.06 56.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.84 -44.17 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.89 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.01 -24.12 63.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.26 -35.32 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.635 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.33 -49.71 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -16.18 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.21 -44.02 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.711 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.76 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.75 -44.4 73.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.62 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.219 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.72 -47.74 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.52 -34.44 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.37 1.044 . . . . 0.0 109.382 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.75 -40.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.804 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.96 -68.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.185 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -53.88 24.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.712 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.8 t -36.78 -55.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.221 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.771 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.81 -59.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.36 -31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.44 -80.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.86 48.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.15 -14.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.771 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.55 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.15 -37.73 47.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.224 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.75 -77.22 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.416 1.072 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.13 -40.02 14.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.604 0.826 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.4 -54.11 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.13 -50.39 4.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.212 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.0 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.81 -69.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.3 -47.41 61.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.176 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.29 5.81 5.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.594 1.184 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.212 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.84 31.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.58 -4.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.74 28.24 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.89 43.15 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.41 13.18 27.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.627 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.42 8.15 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.9 p 148.55 110.51 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -6.49 17.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.33 -12.81 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.997 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.6 t0 -35.47 -35.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.7 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.95 -12.84 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -100.54 144.89 29.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.054 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.63 58.61 1.18 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.22 0.71 57.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.7 m95 -98.63 -17.0 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.906 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.33 0.47 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.906 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -39.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.29 -21.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.23 -59.59 5.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.19 -14.96 58.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.19 -68.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.082 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.58 -43.89 92.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.19 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.72 -32.54 67.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.9 63.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.84 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.43 -44.21 89.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.082 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.6 t90 -53.67 -31.22 46.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.727 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.28 -50.39 68.19 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.628 1.205 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.52 -44.7 95.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.34 -59.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.64 -58.19 5.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.727 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.84 -31.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.5 -48.46 48.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.54 -44.29 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.79 -23.39 63.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.63 -35.69 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.44 -50.07 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.68 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.63 -34.85 46.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.592 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.885 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.78 -37.46 17.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.071 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.71 -28.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.44 -66.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.84 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.99 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.3 -73.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.78 -39.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.84 -70.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -54.66 -45.08 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.85 -57.8 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.987 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t -33.69 -51.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.87 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.3 m -47.08 -33.6 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.33 -72.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.864 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.33 -50.6 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -60.37 -12.81 26.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.23 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.6 mt -50.83 -31.97 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.4 -64.28 3.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.158 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.58 -46.39 39.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.682 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.42 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.9 mt -81.1 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.8 m -50.74 -27.7 7.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.158 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.71 -68.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.87 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.789 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.45 -1.65 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.741 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.8 mm-40 -133.06 4.86 3.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.52 21.08 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.01 28.69 7.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.37 0.688 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -110.93 152.73 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.06 -21.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.29 169.17 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.903 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.6 Cg_endo -74.92 21.5 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.387 1.73 . . . . 0.0 111.053 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.6 t -70.5 -19.79 62.9 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.84 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.071 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.51 -34.13 18.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 1.045 ' CD1' HG21 ' A' ' 4' ' ' VAL . 9.9 m-30 -54.72 -13.37 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.21 133.18 8.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.603 1.844 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.42 68.08 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.659 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.34 11.32 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 0.725 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.976 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.68 -1.75 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 108.035 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.936 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.64 -20.98 0.43 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.388 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.936 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.9 Cg_endo -75.15 -44.42 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.22 -22.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -61.02 -57.24 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.12 -13.31 59.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.179 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.47 -44.4 84.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.26 -36.99 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.03 -24.37 60.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.07 67.9 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.078 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -55.99 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.85 -41.46 64.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.179 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.0 t90 -58.9 -30.08 67.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.82 -53.9 39.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.17 -48.33 73.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 0.0 109.383 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.7 p -63.92 -56.11 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.66 -58.02 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.4 -28.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.136 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.42 -47.75 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.205 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.976 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.82 -43.31 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.76 -24.66 66.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -15.61 61.42 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.34 -59.27 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.805 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.59 -43.55 98.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.19 -50.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.53 -41.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.805 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.07 -39.51 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.99 -62.17 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.693 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.54 -44.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.403 1.065 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.56 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 43.8 t -69.13 -66.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.28 -48.26 79.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.147 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.46 -62.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.4 t -33.54 -47.7 0.24 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 108.333 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.53 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.86 -27.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.236 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.55 -33.82 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' A' ' 13' ' ' LYS . . . -66.76 -3.92 23.83 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.59 0.817 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 10.9 mp0 -76.35 -83.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.65 -45.79 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.07 33.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.75 -54.51 41.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.25 -42.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.996 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.71 -34.46 18.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.112 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.68 -67.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.2 -49.59 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.56 0.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.996 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.57 2.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.9 mm-40 -140.51 6.99 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.45 22.0 6.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.399 1.062 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.07 39.37 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.13 4.98 25.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.716 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.51 11.21 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.716 ' CB ' ' O ' ' A' ' 40' ' ' MET . 26.0 t 136.74 118.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 110.038 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.97 -2.28 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.822 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.09 -14.44 62.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.0 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.89 -32.94 72.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.5 -11.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -119.36 148.57 45.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.29 63.97 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.77 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.27 -15.88 14.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 0.0 110.091 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.958 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.0 m95 -96.83 -16.64 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.858 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.48 -28.24 0.5 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.858 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -74.98 -34.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.398 1.736 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.112 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.58 -22.81 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.0 -60.7 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.62 -11.69 60.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.88 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.093 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.87 -42.06 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.093 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.2 t -53.04 -36.5 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 60' ' ' GLN . 2.0 tp-100 -73.45 -21.61 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.58 70.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.897 ' CD2' HD23 ' A' ' 58' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.91 -46.26 91.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.4 t90 -59.2 -37.8 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.19 -47.54 41.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.5 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.18 -57.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.08 -60.84 2.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.74 -29.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.236 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.48 -49.71 25.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 0.813 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.958 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.85 -44.0 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.649 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.82 -24.09 62.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.88 -34.83 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.1 -50.68 65.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.71 -27.95 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 12.19 35.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.623 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.59 -39.31 16.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.074 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.83 -26.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.09 -68.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.73 -22.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.38 -70.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.915 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.93 -45.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.676 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.879 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.28 -52.63 62.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.8 -21.61 7.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.852 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.26 -59.73 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.84 -45.09 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.879 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.88 -30.4 71.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.48 -69.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -98.02 -48.62 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 108.284 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 18' ' ' LYS . . . -60.46 -20.19 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.365 0.685 . . . . 0.0 109.245 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' ALA . 2.1 mmtm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.1 tt0 -43.37 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.6 mt -52.73 -33.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.81 -77.1 0.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.06 -40.3 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.676 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.3 -54.3 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.94 -51.28 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.615 1.197 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.69 -34.09 64.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.98 -66.27 0.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.49 -47.98 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.96 -1.47 5.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.73 25.05 3.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.692 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.45 5.09 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.9 38.09 20.57 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.23 44.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.374 0.691 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.38 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.82 -29.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.16 163.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.926 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.861 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.05 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.75 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.93 -19.5 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.98 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.074 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.7 -34.64 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.39 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 1.029 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.06 -14.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.27 122.99 10.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.056 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.26 15.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.411 1.743 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.46 53.01 2.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.419 1.074 . . . . 0.0 111.089 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.643 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.52 12.51 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.36 -0.78 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.071 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.98 -20.43 0.39 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.974 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.5 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.579 1.831 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.29 -25.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.781 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.55 -51.44 56.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -15.11 61.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.692 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.56 -74.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.135 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.68 -34.36 11.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 109.379 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.135 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.17 -35.73 77.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -67.56 -30.6 70.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -155.04 62.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.626 1.204 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.79 -48.01 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.37 -47.55 85.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.2 t90 -62.15 -49.72 74.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 108.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.83 -52.94 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.59 80.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.897 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -67.94 -57.01 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.78 -54.67 10.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.42 -47.81 62.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.94 -44.73 70.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.14 -23.11 62.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.02 -52.48 55.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.85 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -65.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.36 -52.02 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.02 -30.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.712 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 ' CB ' ' A' ' 45' ' ' LEU . 11.8 p -67.53 -72.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.958 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.43 -41.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.226 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.97 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.839 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.78 -46.2 83.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.272 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.4 -21.29 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.79 -63.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.406 1.066 . . . . 0.0 108.231 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.688 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.62 -45.75 7.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.839 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.7 m -60.08 -26.74 66.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.92 -74.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.86 40.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.688 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.87 3.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.61 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.19 -32.65 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.53 -77.07 0.13 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.217 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.22 -48.17 54.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.77 -49.32 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.072 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -57.15 2.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.056 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -51.93 -37.23 51.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.217 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.33 -67.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.611 1.195 . . . . 0.0 109.356 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.17 -47.02 69.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.924 ' HG2' HD23 ' A' ' 39' ' ' LEU . 6.0 tm0? -69.24 1.04 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.056 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.86 25.92 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.935 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.9 9.76 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.25 36.54 50.35 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.432 1.083 . . . . 0.0 111.08 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.6 mp -124.16 33.57 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.384 0.697 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.75 97.1 7.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.4 159.8 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 0.88 8.37 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.795 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.91 -16.83 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.0 t70 -45.99 -22.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.77 -32.74 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.8 -11.32 0.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.6 t -138.7 131.05 15.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.94 43.73 93.1 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.564 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.6 7.3 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.909 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.5 m95 -96.12 -2.44 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -24.13 0.52 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.98 -35.25 3.27 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.595 1.839 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.962 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.54 -20.65 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.083 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.955 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.61 -51.86 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.32 -15.35 60.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.46 -67.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.47 -40.25 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.934 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.45 -37.49 83.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.44 -31.58 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -142.71 54.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.765 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -41.72 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.92 -43.32 91.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 1.027 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.2 t90 -54.49 -51.25 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.81 -51.52 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.09 -40.89 97.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.396 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.85 -57.8 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.955 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.2 -58.86 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.25 -27.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.46 -52.25 34.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.0 tp -50.98 -44.07 60.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.606 1.191 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.4 -24.56 62.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.84 -35.2 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.29 -50.84 66.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.62 66.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -85.23 -37.0 20.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.634 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -64.33 -9.07 15.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.919 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -84.89 -40.89 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.033 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -40.56 -34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.214 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.35 -55.36 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER -52.39 -42.06 63.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -60.32 -64.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.048 HD11 ' HG ' ' A' ' 33' ' ' LEU . 4.2 tp -44.36 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.0 OUTLIER -72.61 -65.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 1.024 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -59.16 -53.14 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.269 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -44.14 -54.8 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.056 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 45.0 t -40.3 -58.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -93.72 -57.1 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.024 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.5 m -49.76 -30.87 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.269 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -69.7 -76.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.76 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.2 t -111.4 47.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -164.76 -18.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -27.68 96.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER 165.69 -63.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -62.25 170.36 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -43.66 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.5 t 159.19 59.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.62 -39.76 91.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.837 ' HD3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -143.09 12.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.515 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 36.1 tt0 -47.98 -89.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 mt -54.48 -33.37 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.76 -82.01 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.056 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -50.54 -46.48 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.649 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -40.02 -47.4 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.839 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -95.01 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.946 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.5 m -55.82 -42.35 75.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.053 HD12 ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -63.22 -62.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.048 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -68.38 -47.74 66.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.1 tt0 -68.88 3.01 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.946 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.7 ttmt -136.34 21.91 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.698 ' CB ' HG12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -136.96 8.55 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.692 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 96.8 27.15 9.83 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.888 HD23 HG13 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -121.48 50.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -91.06 17.14 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.3 tpp -91.61 10.21 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.612 ' CB ' ' O ' ' A' ' 40' ' ' MET . 1.2 p 94.1 177.75 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.896 ' HG3' HG23 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.99 18.41 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.73 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 1.2 m -68.88 -23.21 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.2 OUTLIER -39.18 -40.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.033 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 1.2 tt -61.61 -33.39 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 1.012 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.8 m-30 -56.12 -4.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' LEU . 13.7 t -127.69 137.23 30.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.98 128.88 11.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.63 46.05 86.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -96.57 15.21 22.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.98 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.938 ' HB2' HD13 ' A' ' 81' ' ' LEU . 28.9 m95 -95.85 -3.46 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.924 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -79.18 -23.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.924 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.99 -34.47 3.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.053 ' CD1' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.23 -18.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.836 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -72.59 -53.52 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.58 -12.85 61.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.667 ' CB ' ' O ' ' A' ' 36' ' ' GLU . . . -66.93 -71.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.124 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.37 -36.63 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.124 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.83 -36.99 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.962 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -21.2 63.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.79 ' CG ' HD12 ' A' ' 64' ' ' ILE . 1.4 ptt180 -164.41 66.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 1.015 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -67.3 -9.03 36.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.19 12.93 31.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.819 ' C ' HD23 ' A' ' 65' ' ' LEU . 9.1 mt -102.71 -11.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.83 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -112.55 151.9 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.67 73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.78 -7.39 13.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.88 24.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.8 -59.26 0.6 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -177.96 -65.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.079 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -124.65 1.49 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.71 ' O ' HD22 ' A' ' 76' ' ' LEU . 6.5 mmtt -51.79 -46.08 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.914 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.0 m -58.71 -46.0 88.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.855 ' CE3' HD23 ' A' ' 71' ' ' LEU . 3.6 t90 -59.27 -50.33 74.41 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.94 -49.42 2.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.09 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.837 HD23 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -65.07 -41.1 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.977 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -69.53 -56.83 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.836 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -31.27 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.265 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.33 -47.46 64.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.938 HD13 ' HB2' ' A' ' 51' ' ' TRP . 2.0 tp -51.62 -43.51 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.72 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.14 -24.29 64.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.11 -36.39 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.88 -44.99 91.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -63.41 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -77.63 -23.6 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.667 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -58.94 -8.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.758 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.39 -39.77 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.016 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.75 -29.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.224 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.42 -67.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 10' ' ' SER . 86.1 tttt -49.31 -21.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 45' ' ' LEU . 12.3 p -67.64 -70.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.004 HD11 ' HG ' ' A' ' 33' ' ' LEU . 5.5 tp -45.95 -48.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.603 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 77.3 p -60.77 -61.61 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.857 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -68.43 -52.58 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.366 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.61 -20.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.705 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -73.25 -63.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -97.02 -41.41 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.857 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -64.54 -29.28 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.366 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -60.61 -70.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.7 -47.65 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.334 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -62.16 -15.56 50.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER 36.24 -104.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 21' ' ' PRO . 10.0 m -96.4 -45.52 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 m -34.27 95.58 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 179.95 5.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER 167.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.041 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' SER . 2.1 mttt 170.05 163.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.66 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER 77.41 -0.56 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -47.22 -92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' MET . 3.3 mt -51.38 -33.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -48.69 -60.84 5.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.071 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -50.18 -53.52 27.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.626 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -37.38 -43.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.837 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -95.23 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.987 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 69.1 m -52.72 -34.72 53.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.071 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -68.19 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.004 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.79 -45.02 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.837 ' N ' ' O ' ' A' ' 30' ' ' LEU . 10.3 tt0 -70.57 0.87 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.987 ' CB ' ' O ' ' A' ' 31' ' ' SER . 4.9 ttmm -139.39 26.14 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.764 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . 4.8 mm-40 -140.08 7.7 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 95.62 27.4 10.57 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -123.2 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -94.45 24.65 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.661 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.09 4.17 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.1 p 99.81 174.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.88 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 17.46 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.4 t -67.86 -25.28 65.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' SER . 5.3 t70 -33.55 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.016 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -71.58 -35.91 70.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.966 ' CD1' HG21 ' A' ' 4' ' ' VAL . 13.7 m-30 -54.7 -10.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' LEU . 19.1 t -138.14 129.87 15.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.14 17.38 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.38 56.69 4.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.675 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -123.24 11.94 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 11.3 m95 -95.4 -2.1 49.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 107.978 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.919 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.12 -20.95 0.42 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.919 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.0 -35.44 3.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.95 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -75.79 -26.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.821 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.1 m -67.05 -52.59 40.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.84 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.371 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.764 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -64.67 -75.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.181 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.46 -35.72 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.059 ' N ' HD22 ' A' ' 58' ' ' LEU . 3.1 t -62.91 -37.88 88.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.87 -24.91 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 62.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.263 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -69.41 -10.48 58.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.495 ' O ' HG13 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -80.67 -27.34 37.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 63' ' ' MET . 2.9 mp -144.07 66.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.802 HD22 HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -103.33 -150.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.566 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -40.37 -32.14 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 69' ' ' GLY . 21.4 tttt -126.04 151.48 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 t -49.56 -19.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 67' ' ' LYS . . . 164.23 82.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -172.11 68.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.181 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -54.45 -16.6 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -40.44 -41.35 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.66 HG21 ' HB3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.73 -48.61 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.155 ' CE3' HD23 ' A' ' 71' ' ' LEU . 2.0 t90 -62.86 -33.34 75.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.11 -52.78 25.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -66.64 -41.05 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.927 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -65.51 -57.26 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.866 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.71 -58.09 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.81 -30.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.157 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.54 -47.95 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.8 tm? -52.52 -44.72 65.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.785 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.36 -23.41 63.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.01 -35.8 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.65 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.45 -49.25 72.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -20.14 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -13.54 58.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.737 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.586 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.9 tt0 -61.06 -13.22 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.844 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -85.45 -37.63 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.041 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.19 -27.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.168 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.17 -66.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -50.57 -20.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.956 HG11 ' HB2' ' A' ' 45' ' ' LEU . 9.5 p -65.99 -70.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.029 HG23 ' HG3' ' A' ' 29' ' ' MET . 3.9 tp -42.45 -45.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.658 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.22 -64.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.762 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -65.09 -49.41 70.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.262 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.48 -20.62 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.014 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 7.5 t -73.93 -60.57 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.973 ' NZ ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.5 -50.28 5.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.762 ' N ' ' O ' ' A' ' 10' ' ' SER . 91.4 m -56.35 -30.38 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -69.58 -70.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -105.21 46.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.282 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.557 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -166.62 -27.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 17' ' ' GLY . 1.1 mptm? 35.46 -99.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 20' ' ' SER . 31.1 m -39.37 -29.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 19' ' ' THR . 55.7 p -35.12 131.28 0.48 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.49 34.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -72.04 80.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.752 ' HD3' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER 76.62 11.45 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.7 tt0 -46.58 -95.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.8 mp -53.17 -32.2 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -52.1 -67.46 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.014 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -47.96 -47.43 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.029 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.7 -53.25 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.928 HD13 ' SD ' ' A' ' 29' ' ' MET . 1.1 tp -86.5 -53.77 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.167 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -63.66 -54.13 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.055 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -47.74 -56.92 6.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.01 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.92 -57.93 3.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.752 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tm0? -71.69 11.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.2 tmtt? -138.55 20.52 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.729 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 46.3 mt-10 -136.37 5.87 3.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.62 27.44 73.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -137.79 43.93 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -112.84 133.42 54.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.53 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.9 ttt -144.58 -26.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.1 OUTLIER 158.08 162.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.875 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 19.67 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 46' ' ' TYR . 3.6 m -73.57 -18.35 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 5.6 t70 -40.87 -28.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.041 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -79.14 -33.65 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 1.009 ' CD1' HG21 ' A' ' 4' ' ' VAL . 14.2 m-30 -56.87 -12.93 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.6 t -146.51 125.71 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.17 17.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.76 51.65 3.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.666 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -124.85 15.73 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.952 ' CB ' HD22 ' A' ' 81' ' ' LEU . 26.2 m95 -96.71 -1.15 47.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.945 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t70 -77.65 -19.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.945 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -74.99 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.01 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.37 -20.75 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.909 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.3 m -66.02 -49.64 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.53 -13.98 60.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 36' ' ' GLU . . . -65.31 -72.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.128 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -51.93 -38.54 56.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.128 ' N ' HD22 ' A' ' 58' ' ' LEU . 4.7 t -58.58 -36.88 74.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.94 -23.8 65.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.12 66.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 1.042 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -72.98 -16.14 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.874 ' C ' HD12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -81.44 -16.53 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.874 HD12 ' C ' ' A' ' 63' ' ' MET . 4.2 mp -147.14 65.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.05 ' CD2' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.44 -146.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.608 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -48.09 -48.53 25.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -117.84 65.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 67' ' ' LYS . 1.7 m 35.92 -95.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LYS . . . -113.09 70.51 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -161.91 64.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.05 HD12 ' CD2' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -59.71 -11.46 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.04 -45.81 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.752 HG23 ' HD3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -60.89 -46.37 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.977 ' CE3' HD23 ' A' ' 71' ' ' LEU . 1.3 t90 -60.57 -45.83 92.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.69 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -40.75 -49.54 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.973 HD22 ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -63.53 -42.17 98.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.055 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.83 -57.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.909 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.83 -58.8 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.46 -27.78 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -67.71 -52.58 35.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.952 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.8 tp -50.28 -43.72 53.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.685 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.78 -25.3 62.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.45 -36.59 76.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.672 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -62.86 -47.33 83.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -73.17 -19.24 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.55 -21.98 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.619 ' HA2' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -88.81 -45.16 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.731 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.89 -44.06 97.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.979 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.71 -53.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.067 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.49 -39.07 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.71 ' HB3' ' HA ' ' A' ' 3' ' ' ALA . 4.3 ttmm -52.05 -41.12 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -71.08 -64.89 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -41.35 -45.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.591 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.0 t -66.06 -67.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.832 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -64.24 -46.38 84.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.299 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.34 -24.72 20.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG23 ' A' ' 77' ' ' VAL . 47.4 t -73.5 -58.14 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.784 ' O ' ' N ' ' A' ' 18' ' ' LYS . 4.9 ttpm? -93.89 -53.33 4.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.832 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.6 m -54.52 -29.89 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.299 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -68.7 -74.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -96.04 -47.3 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -55.07 -18.33 12.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.784 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.0 tttt 61.91 -77.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 17' ' ' GLY . 1.6 t -154.89 -51.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' THR . 1.7 t -35.42 96.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.02 179.05 6.48 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.6 OUTLIER 161.27 40.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 33.99 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 73' ' ' THR . 3.1 mttt 175.94 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' CB ' ' HG3' ' A' ' 13' ' ' LYS . 5.7 mp0 -73.13 -76.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 29' ' ' MET . 2.5 mm -49.47 -39.56 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.13 -42.2 61.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.878 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -56.24 -53.83 52.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.889 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -37.01 -45.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.889 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -85.16 -71.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.015 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -55.56 -47.88 75.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.908 ' HG ' HG11 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -51.66 -59.34 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.011 ' CD1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.78 -52.28 10.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.849 ' OE1' HD23 ' A' ' 30' ' ' LEU . 27.9 mt-30 -67.86 4.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.015 ' CB ' ' O ' ' A' ' 31' ' ' SER . 2.0 tptt -138.97 23.65 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.705 ' CD ' ' HB3' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -141.56 7.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.48 41.89 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.011 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.7 mp -141.43 46.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 34' ' ' GLN . 2.6 tp -112.33 12.58 20.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.65 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -102.09 1.95 36.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.9 m 145.93 120.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -74.99 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.843 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.77 -12.95 61.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' SER . 19.1 t70 -37.17 -30.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -55.51 -35.38 65.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.757 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.6 m-30 -55.05 -12.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -95.98 147.44 32.98 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 107.92 2.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 87.48 69.0 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.793 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -100.27 -4.95 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.954 ' HB2' HD13 ' A' ' 81' ' ' LEU . 75.2 m95 -93.85 -26.75 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.818 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -71.16 -32.09 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.818 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.6 Cg_endo -74.97 -27.95 9.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.78 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.923 ' CD1' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -74.97 -18.21 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.911 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -73.75 -55.92 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -75.67 -27.38 58.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.705 ' HB3' ' CD ' ' A' ' 36' ' ' GLU . . . -58.99 -61.6 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.954 ' CD1' ' HB2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -59.86 -44.53 94.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -55.68 -38.85 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -68.01 -21.56 65.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.707 ' HG2' HD11 ' A' ' 64' ' ' ILE . 17.8 mtt85 -114.35 -75.96 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . 44.66 18.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -123.81 -23.19 4.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.707 HD11 ' HG2' ' A' ' 61' ' ' ARG . 2.5 pt -104.01 17.22 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.863 HD23 ' H ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -105.63 -128.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.863 ' H ' HD23 ' A' ' 65' ' ' LEU . . . 85.79 77.72 1.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -113.48 2.94 15.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t -179.69 35.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.95 -84.69 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -144.81 -46.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.5 tp -154.71 22.4 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -56.5 -50.28 72.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.82 -43.26 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.954 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 33.8 t90 -51.81 -36.92 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -57.55 -49.2 75.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 3.8 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.929 HG23 ' SG ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -64.97 -53.92 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.911 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -70.78 -61.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -35.4 -30.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.174 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.11 -50.82 52.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.954 HD13 ' HB2' ' A' ' 51' ' ' TRP . 12.2 tp -52.62 -41.73 63.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.613 ' HE2' HD11 ' A' ' 78' ' ' LEU . 1.6 mptp? -68.75 -24.32 64.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -68.98 -35.63 76.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.661 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.43 -50.86 65.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -20.02 66.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -85.36 -58.26 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 1.098 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -55.62 2.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.73 -35.04 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.098 HG22 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -40.76 -53.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.71 -44.69 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.5 mmtp -46.03 -39.53 9.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.067 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.83 -65.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.34 -40.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.1 -64.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.64 28.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.29 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -22.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.2 -65.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.1 -43.24 8.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.9 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.29 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.23 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -104.83 46.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -163.98 -29.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 26.5 45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLY . 87.0 m -158.95 20.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 19' ' ' THR . 74.4 m -35.04 93.91 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -53.36 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 25' ' ' GLU . 0.2 OUTLIER 175.53 -59.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' GLU . 11.3 mmtt -80.48 161.65 24.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm 68.46 -64.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.12 -88.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.1 mt -53.55 -32.55 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.64 -77.58 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.67 -45.19 38.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.59 -53.07 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.786 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.21 -55.28 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.019 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.01 -47.73 82.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.21 -64.12 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.94 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.03 -55.58 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.92 4.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.019 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.3 tmtt? -140.82 27.6 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 17.0 mt-10 -144.83 8.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.826 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.3 32.98 3.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.54 49.58 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.4 13.28 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.701 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.31 22.35 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.701 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.79 143.36 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.703 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.5 Cg_endo -74.96 -3.05 13.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.748 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.92 -18.18 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.7 t70 -33.76 -39.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.067 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.18 -32.5 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.84 -4.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.543 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.18 149.41 41.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.02 118.79 5.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.13 49.0 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.607 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -84.57 -0.3 52.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.864 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.8 m95 -97.33 -7.86 31.0 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.21 -26.4 0.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.97 -34.6 3.73 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.039 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.34 -24.76 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.59 -56.36 12.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.97 -12.54 60.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.96 -76.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.128 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.04 -37.85 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.962 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.8 mm-40 -71.36 -18.1 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.56 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -155.01 61.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -81.54 0.12 39.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 mtm -78.16 -6.54 55.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.897 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.2 pt -101.08 -14.54 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.897 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -131.07 143.88 51.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.818 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 90.43 -27.28 8.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -46.55 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -108.64 -16.2 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -128.34 -101.87 1.08 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.624 ' N ' ' H ' ' A' ' 66' ' ' GLY . 1.5 tp10 178.05 73.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.128 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.4 -20.83 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.47 -45.26 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.17 77.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.941 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.8 t90 -57.22 -48.75 78.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.55 -51.42 2.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.2 -37.89 86.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.049 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.63 -56.9 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.72 -59.16 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.18 -32.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.195 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.53 -50.27 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.864 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.84 -44.08 63.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.738 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.62 -23.02 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.26 -34.71 70.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.622 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.01 -48.83 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.21 65.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.8 -32.85 60.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.678 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 64.77 -19.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.772 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.19 -46.33 9.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.978 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.99 -28.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.192 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.56 -70.31 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.44 -22.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.79 -71.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.027 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.1 tp -44.42 -44.1 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.588 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.66 -64.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.043 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.37 -48.37 67.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.307 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.04 -23.27 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.82 -63.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.594 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -97.07 -44.0 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.87 -30.82 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.307 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.26 -73.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.7 t -108.12 46.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.9 -26.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt 66.09 -68.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -150.77 -44.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.4 m -34.33 110.8 0.39 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.99 178.2 7.58 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 43.8 t 179.88 -78.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' SER . 2.0 mptp? -145.43 -47.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -42.47 -91.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 68.8 176.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.79 -32.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.99 -57.91 7.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.915 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.45 -50.29 62.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -39.76 -44.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.854 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.36 -65.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.004 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 24.9 m -52.16 -34.62 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.11 -66.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.027 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.59 -47.25 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.854 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.12 0.4 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.004 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.75 27.9 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.11 7.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 1.006 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.34 34.06 4.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.13 49.49 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.95 11.58 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.652 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.01 177.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 17.67 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.777 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.0 t -68.47 -23.31 64.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.19 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.978 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.64 -34.62 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.972 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.4 m-30 -55.13 -12.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -134.59 128.81 19.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.19 23.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 58.09 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.651 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.46 14.16 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.732 . . . . 0.0 109.968 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.4 m95 -97.24 -0.76 46.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.29 -19.74 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.938 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.29 -18.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.629 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.56 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.87 -13.06 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.33 -71.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.08 ' CD2' HD13 ' A' ' 65' ' ' LEU . 1.4 mp -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -34.54 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.65 71.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.723 ' HB2' HD11 ' A' ' 64' ' ' ILE . 12.7 mtt-85 -154.43 66.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.39 0.11 20.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -11.02 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 61' ' ' ARG . 5.2 pt -103.37 18.03 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.08 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 tp -109.25 -132.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.6 ' H ' HD23 ' A' ' 65' ' ' LEU . . . 102.61 63.83 0.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 -0.93 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.8 t -178.66 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.89 -101.73 0.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -66.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp -146.64 19.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.77 -44.96 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.699 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.1 m -58.71 -43.44 90.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.7 t90 -56.32 -39.26 72.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.028 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.29 -46.67 57.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.24 -44.9 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.24 -57.62 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.29 -60.06 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.282 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.57 -47.68 59.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.67 -44.29 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.94 -24.58 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.8 -37.79 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.648 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.33 -48.8 79.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -20.97 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.61 -46.91 12.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 1.035 ' H2 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 -88.21 -34.71 17.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.35 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.17 -40.23 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.035 HG21 ' H2 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -47.36 -50.34 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.198 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.73 -43.32 15.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.37 -37.43 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.083 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.28 -59.76 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.7 -41.21 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.701 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.08 -67.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.22 -49.35 74.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.62 -60.36 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.19 -50.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.5 m -50.2 -37.32 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.237 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.802 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.7 t -108.21 46.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.53 -24.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER 63.61 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -143.04 -43.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.371 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -21.8 95.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.94 -179.64 5.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.787 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 161.72 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 22' ' ' SER . 0.9 OUTLIER 160.3 163.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.862 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER 71.02 4.65 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.17 -93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.8 mt -50.51 -33.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.59 -55.12 18.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.59 -56.01 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.748 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.03 -40.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.821 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.25 -74.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.65 -30.81 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.67 -48.35 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.37 2.33 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.8 26.43 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.45 5.67 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 35.88 2.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.75 43.55 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.81 9.19 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.11 11.7 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.68 105.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.03 -8.12 19.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.25 -10.56 55.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.004 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.12 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.083 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.13 -36.03 50.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.7 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.0 t -118.72 144.4 35.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.39 64.35 0.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.746 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.61 -18.12 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.935 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.46 -22.79 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.868 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.69 -28.59 0.93 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.868 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.95 -31.86 5.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.67 -24.83 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.02 -56.27 16.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.14 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.07 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.49 -38.37 53.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.45 -36.08 75.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.65 -21.71 64.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.35 70.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.953 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -75.54 -21.65 57.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.561 ' HB3' HD12 ' A' ' 64' ' ' ILE . 23.5 ttm -77.06 2.14 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -145.45 51.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 66' ' ' GLY . 6.6 tt -103.06 179.28 4.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.742 ' N ' HD23 ' A' ' 65' ' ' LEU . . . -86.52 26.25 6.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -119.4 -43.83 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t 73.86 -54.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.25 -63.5 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 71' ' ' LEU . 4.0 tt0 -172.9 -72.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -179.02 31.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -66.2 -45.81 79.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.862 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.81 -46.52 88.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 68.3 t90 -57.42 -27.35 62.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 107.978 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.62 -61.16 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.802 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.2 tt -60.95 -44.08 97.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.14 -58.31 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.894 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.64 -59.26 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.12 -31.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.117 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.237 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.69 -48.17 56.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.73 -44.1 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.888 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.2 -24.02 63.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.25 -35.26 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.46 -49.68 70.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -16.1 62.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.25 -43.97 15.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.633 ' CA ' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.712 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 67.18 -50.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.761 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.77 -44.38 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.082 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.22 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 -47.81 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.712 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.43 -34.44 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.63 -40.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.803 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.93 -68.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.65 -51.36 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.186 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.21 -53.82 25.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.714 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.7 t -36.87 -55.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.79 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.38 -31.17 3.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.43 -80.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.87 47.97 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 108.27 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.13 -14.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.769 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 58.29 -172.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.516 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 1.8 m -62.2 -47.62 83.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' THR . 43.0 t -37.78 103.51 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 179.43 6.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.6 m 154.41 49.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 12.2 mptt 68.7 157.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? 80.49 -50.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.45 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.16 -37.63 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.88 -77.14 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.14 -40.02 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.45 -54.03 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.11 -50.48 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.213 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.4 m -58.49 -30.67 67.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.76 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.15 -47.43 61.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.35 5.86 5.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.213 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.86 31.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.835 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.66 -4.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.69 28.26 2.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.91 43.13 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.34 13.14 27.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.625 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.41 8.19 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.625 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.8 p 148.55 110.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.4 Cg_endo -75.03 -6.59 18.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.27 -12.84 61.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.7 t0 -35.62 -35.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.26 29.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.701 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.92 -12.85 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -100.67 144.93 29.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.53 58.62 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.24 0.73 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.993 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.6 m95 -98.67 -16.95 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.37 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -75.0 -39.03 1.33 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.438 1.757 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.33 -21.28 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.24 -59.54 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.23 -14.9 58.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.664 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.09 -68.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.084 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.56 -43.91 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.05 61.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.75 -32.57 67.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.88 63.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -71.28 -5.53 32.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.505 ' C ' HD12 ' A' ' 64' ' ' ILE . 26.3 mmm -94.61 10.66 33.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.937 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -102.6 -10.88 9.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.021 ' CD1' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.86 -158.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.58 81.61 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 30.44 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.0 t 177.23 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.82 -98.44 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.26 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp -138.38 23.5 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.81 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.49 -44.18 89.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.084 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.7 t90 -53.65 -31.24 46.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.726 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.22 -50.47 67.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.47 -44.7 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.29 -59.59 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.54 -58.21 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.79 -31.04 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.58 -48.36 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.68 -44.16 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.9 -23.39 63.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.47 -50.02 71.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.64 66.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.72 -34.75 45.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -55.41 -11.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.884 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.65 -37.57 17.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.07 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.62 -28.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.46 -66.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.86 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.26 -73.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.85 -39.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.92 -70.25 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -54.65 -45.03 73.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.95 -57.75 8.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.989 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 29.0 t -33.65 -51.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.88 -64.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.1 m -46.98 -33.65 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.32 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.862 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.46 -50.48 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.266 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' PRO . . . -60.36 -12.85 26.78 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.85 -172.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -107.03 13.16 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -86.34 -63.07 0.23 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -175.51 2.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 11.1 t -149.83 19.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -73.15 124.91 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.567 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER 35.2 49.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.11 -103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.2 mt -50.84 -32.08 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.27 -64.22 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.159 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.74 -46.34 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.684 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.46 10.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.788 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.0 mt -81.04 -58.35 3.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.9 m -50.73 -27.71 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.159 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.66 -68.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.83 37.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.42 -1.7 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.743 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.9 mm-40 -133.06 4.92 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.33 21.24 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.09 28.78 7.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -111.0 152.7 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.04 -21.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.18 169.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.905 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 21.6 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.4 t -70.63 -19.65 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.604 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.89 -26.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.07 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.57 -34.15 18.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 1.043 ' CD1' HG21 ' A' ' 4' ' ' VAL . 10.0 m-30 -54.65 -13.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.18 133.18 8.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 128.93 11.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.38 68.11 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.658 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.27 11.38 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.978 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.7 -1.76 49.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.935 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.58 -21.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.935 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.05 -44.45 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.17 -22.65 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -60.96 -57.24 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.14 -13.4 59.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.178 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.49 -44.46 84.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.19 -37.02 61.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.0 -24.34 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.606 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -160.11 67.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.738 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -64.4 -19.85 65.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.852 ' C ' HD12 ' A' ' 64' ' ' ILE . 11.6 mmt -72.62 -0.9 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.852 HD12 ' C ' ' A' ' 63' ' ' MET . 2.7 mp -124.97 37.91 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.148 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.5 tp -104.89 174.14 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.766 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -44.78 -45.8 9.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -118.5 142.91 47.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.737 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.9 p -73.99 -6.5 47.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.98 -93.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.585 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 2.2 tt0 -146.38 -72.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.079 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp 174.57 39.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -55.98 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.634 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.89 -41.44 64.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.178 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.1 t90 -58.84 -30.13 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.84 -53.76 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.37 -48.23 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.8 p -63.97 -56.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.74 -57.99 4.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.34 -29.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.137 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.16 -47.91 75.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.978 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.69 -43.39 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.82 -24.52 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.22 -37.82 78.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.65 -48.23 81.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -15.61 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -86.45 -59.27 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' HA3' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.804 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 66.13 -44.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.706 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.54 -43.51 98.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.23 -50.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.48 -41.39 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.05 -39.55 56.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.064 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.92 -62.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.56 -43.98 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.562 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 44.0 t -69.25 -66.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.144 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.47 -62.44 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.5 t -33.52 -47.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.89 -27.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.56 -33.77 6.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 108.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -66.68 -4.05 23.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -32.82 -22.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.815 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -63.13 33.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.706 ' H ' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -22.65 -49.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.815 ' HD2' ' C ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 29.08 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.792 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.4 t -114.98 -26.87 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 81.14 148.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER 80.55 14.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 23' ' ' LYS . 10.9 mp0 -76.33 -83.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.7 -45.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.1 -47.09 33.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.74 -54.51 41.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.24 -42.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.997 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.73 -34.5 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.113 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.59 -67.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.902 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.23 -49.61 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.54 0.9 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.997 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.67 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.0 mm-40 -140.47 6.92 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.48 21.99 6.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.11 39.5 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.2 4.98 25.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.715 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.59 11.36 36.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.715 ' CB ' ' O ' ' A' ' 40' ' ' MET . 25.9 t 136.76 118.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.0 -2.28 12.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.823 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.05 -14.49 62.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.1 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.064 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.86 -32.96 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.49 -11.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.2 t -119.3 148.58 45.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.27 64.13 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.769 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.44 -15.79 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.959 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.1 m95 -96.86 -16.64 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.857 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.49 -28.24 0.5 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -34.9 3.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.113 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.59 -22.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -64.99 -60.66 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.66 -11.68 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.97 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.094 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.9 -42.01 64.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.094 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.3 t -53.09 -36.46 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -73.48 -21.65 60.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.62 70.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.1 -11.65 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -8.83 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.44 57.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.172 HD13 ' CD2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -97.38 -129.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.882 ' H ' HD23 ' A' ' 65' ' ' LEU . . . -85.38 -71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 -170.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -77.25 -12.13 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 68' ' ' SER . . . -37.14 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 6.4 tt0 -174.37 -76.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.172 ' CD2' HD13 ' A' ' 65' ' ' LEU . 15.0 mt -158.97 22.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -44.49 86.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.664 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -61.01 -46.17 91.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.3 t90 -59.18 -37.87 78.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.22 -47.46 42.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.59 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.96 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.04 -57.08 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.13 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.75 -29.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.45 -49.79 25.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.959 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.72 -44.06 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.83 -24.06 62.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.2 -50.61 65.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.76 -27.88 68.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.76 12.22 34.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.649 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.622 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 -56.66 -8.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.58 -39.33 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.073 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.95 -26.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.14 -68.18 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.83 -21.86 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.53 -70.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.914 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -45.0 -45.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.677 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.31 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.88 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.25 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.85 -21.53 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.851 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.3 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.82 -45.1 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.88 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.92 -30.39 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.43 -69.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -97.93 -48.6 5.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.336 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -60.48 -20.25 55.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt 27.82 -87.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 17' ' ' GLY . 30.7 m -34.85 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 23.5 t -32.87 107.58 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 171.03 59.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 5.6 mtmp? -142.89 110.81 5.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.1 mmtm 89.21 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 41.2 tt0 -43.35 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.5 mt -52.71 -33.2 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.74 -77.16 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.01 -40.34 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.677 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.31 -54.31 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.96 -51.4 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.6 -34.18 64.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.82 -66.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.81 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.35 -48.15 44.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.85 -1.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.78 25.06 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.693 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.46 5.08 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.91 38.25 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.41 44.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.32 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.77 -29.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.57 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.19 162.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.864 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.14 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.91 -19.58 61.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.9 -30.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.073 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.92 -34.54 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 1.028 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.09 -14.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.29 122.97 9.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.49 53.06 2.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.644 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.5 12.43 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.001 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.43 -0.74 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -75.01 -20.41 0.39 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.975 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.1 Cg_endo -75.04 -36.07 2.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.066 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.36 -25.03 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.783 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.45 -51.53 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.14 61.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.693 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.53 -74.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.134 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.7 -34.3 11.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.134 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.2 -35.73 77.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tm0? -67.5 -30.73 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HD2' HD13 ' A' ' 64' ' ' ILE . 1.3 mtt85 -154.92 62.02 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.54 -38.87 88.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.3 mtt -72.83 -9.31 58.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.715 ' O ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.59 64.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.37 -146.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.597 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -54.7 -46.14 76.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.22 135.07 52.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' GLY . 59.3 p -60.03 -28.77 68.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -36.11 -90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 4.5 tt0 -165.73 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 0.717 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -168.36 22.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.91 -47.97 72.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.36 -47.48 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.1 t90 -62.15 -49.8 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.84 -52.91 1.5 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.57 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 0.794 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.04 -56.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.79 -54.74 10.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.39 -47.79 63.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.98 -44.77 71.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.725 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.08 -23.03 63.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.04 -52.53 55.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.8 65.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.3 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 5.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 0.813 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.42 -51.96 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.1 -30.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.965 HG11 ' CB ' ' A' ' 45' ' ' LEU . 12.0 p -67.48 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.956 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.5 -41.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.04 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.838 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.75 -46.15 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.055 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.47 -21.29 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.8 -63.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.687 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.72 -45.68 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.6 m -59.99 -26.84 66.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.99 -74.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.87 40.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 108.259 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.83 3.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -34.76 155.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.533 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER 69.02 7.98 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.2 m -81.37 147.67 60.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER 165.46 115.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.046 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -139.9 -113.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -90.86 22.89 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.19 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.11 -32.67 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.49 -77.08 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.216 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.15 -48.3 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.72 -49.38 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.1 -57.22 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.055 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -52.0 -37.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.216 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.4 -67.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.961 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.18 -47.03 69.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.926 ' HG2' HD23 ' A' ' 39' ' ' LEU . 5.9 tm0? -69.36 1.15 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.055 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.89 25.95 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.934 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.95 9.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.24 36.59 50.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.5 mp -124.18 33.51 5.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.926 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.72 97.11 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.44 159.81 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.02 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.793 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.95 -16.78 53.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.1 t70 -46.05 -22.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.83 -32.61 27.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.83 -11.25 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.5 t -138.71 131.08 15.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.54 42.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.92 43.72 93.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.54 7.29 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.3 m95 -96.15 -2.49 46.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.95 -24.17 0.53 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -35.27 3.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.961 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.49 -20.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.954 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.52 -51.94 25.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.369 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.28 -15.35 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.4 -67.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.48 -40.17 62.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.933 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.49 -37.51 82.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.47 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.612 ' HB3' HD12 ' A' ' 64' ' ' ILE . 31.8 mtt-85 -142.67 54.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.44 1.21 17.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -6.39 49.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.918 ' C ' HD23 ' A' ' 65' ' ' LEU . 4.5 mt -98.67 -14.25 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.918 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -129.17 144.19 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.789 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 92.25 -26.94 11.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -117.5 -64.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.93 0.63 56.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -144.59 -106.7 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.636 ' N ' ' H ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER 176.77 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.351 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -50.45 -21.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -45.01 -41.65 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.99 -43.37 91.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.023 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.3 t90 -54.53 -51.16 66.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.82 -51.61 2.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.12 -40.81 97.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.97 -57.71 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.954 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.27 -58.84 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.2 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.4 -52.28 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.9 tp -50.99 -44.09 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.3 -24.68 62.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.47 -50.72 66.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.65 66.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -85.24 -36.91 20.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 1.099 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -55.68 2.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 0.812 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.72 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . . . -76.72 -34.94 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.099 HG22 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -40.79 -53.76 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.066 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.66 -44.72 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HB2' ' HA ' ' A' ' 3' ' ' ALA . 3.6 mmtp -46.07 -39.46 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -73.88 -65.71 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.152 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.958 HG23 ' HG3' ' A' ' 29' ' ' MET . 4.2 tp -43.44 -40.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.655 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -68.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.056 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.84 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -70.34 -51.62 28.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.291 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.17 -22.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 1.3 t -72.32 -65.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -94.2 -43.26 8.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.225 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.84 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.8 m -60.75 -29.39 69.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.291 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -68.21 -73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 38.5 t -104.96 46.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.351 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.01 -29.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 26.4 45.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' GLY . 86.9 m -159.05 20.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 19' ' ' THR . 74.1 m -34.97 93.97 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.0 Cg_endo -75.14 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 25' ' ' GLU . 0.2 OUTLIER 175.48 -59.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 25' ' ' GLU . 11.3 mmtt -80.44 161.71 24.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mttm 68.33 -64.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' OE1' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -34.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 110.207 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' SD ' ' A' ' 29' ' ' MET . 44.0 mt -53.67 -32.44 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.68 -77.46 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.87 -45.05 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 0.0 109.372 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.958 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -41.66 -53.13 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.787 HD13 ' CE ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -93.19 -55.27 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.02 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -58.0 -47.74 82.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.605 1.191 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -55.22 -64.0 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.375 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.939 HD13 HG13 ' A' ' 54' ' ' ILE . 1.1 mm? -67.16 -55.52 13.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.741 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.87 4.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.02 ' CB ' ' O ' ' A' ' 31' ' ' SER . 5.4 tmtt? -140.8 27.5 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.221 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.762 ' OE1' ' HB3' ' A' ' 58' ' ' LEU . 16.9 mt-10 -144.72 8.15 1.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.16 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.827 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 106.35 33.03 3.51 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 37' ' ' GLY . 2.2 mm? -131.55 49.5 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.4 13.23 32.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.702 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -99.22 22.34 10.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 111.03 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 40' ' ' MET . 7.8 t 104.86 143.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.704 ' HB2' HD12 ' A' ' 5' ' ' ILE . 18.3 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.573 1.828 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.749 ' OG ' ' CE2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -65.74 -18.3 65.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' O ' ' OG ' ' A' ' 50' ' ' SER . 23.6 t70 -33.79 -39.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -50.2 -32.59 16.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CD1' HG13 ' A' ' 4' ' ' VAL . 3.0 m-30 -55.7 -4.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 45' ' ' LEU . 29.2 t -113.12 149.41 41.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' OG ' ' A' ' 47' ' ' SER . 18.2 Cg_endo -75.08 118.74 5.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 49.09 7.13 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.606 ' OG ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -84.61 -0.27 52.69 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.579 0.811 . . . . 0.0 110.038 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.863 ' CG ' HD23 ' A' ' 81' ' ' LEU . 52.9 m95 -97.31 -7.79 31.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 108.084 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.874 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -77.2 -26.43 0.54 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.874 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.2 Cg_endo -74.96 -34.6 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.952 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.33 -24.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.933 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.3 m -65.63 -56.37 12.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.373 1.045 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.91 -12.69 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.94 -76.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.13 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -54.06 -37.81 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.961 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 55.9 mm-40 -71.37 -18.12 62.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -155.16 61.84 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.794 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -81.6 0.18 39.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.198 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 mtm -78.32 -6.42 55.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.898 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.2 pt -101.15 -14.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.898 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -131.01 143.89 51.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.816 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 90.38 -27.26 8.74 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.32 -46.56 2.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 m -108.53 -16.3 14.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -128.21 -101.85 1.09 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.623 ' N ' ' H ' ' A' ' 66' ' ' GLY . 1.5 tp10 178.08 73.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.322 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.13 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -58.25 -21.09 47.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.25 -45.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.395 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -56.36 -42.23 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.943 ' CA ' HD21 ' A' ' 32' ' ' LEU . 4.7 t90 -57.24 -48.7 78.18 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.648 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -38.59 -51.43 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -66.19 -37.85 86.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.05 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -70.59 -56.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.933 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -73.71 -59.09 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.31 -32.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.194 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.57 -50.25 53.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 0.804 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -51.82 -44.07 63.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.737 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -70.64 -23.02 62.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.36 -34.71 70.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.623 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.94 -48.85 74.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -67.57 -23.16 65.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -75.88 -32.79 59.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.677 ' C ' ' H ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' C ' HD13 ' A' ' 5' ' ' ILE . 7.1 tp10 64.82 -19.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 0.803 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.77 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -88.22 -46.39 9.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.979 HG23 ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -43.96 -28.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.193 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.58 -70.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.9 OUTLIER -47.47 -22.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.388 1.055 . . . . 0.0 109.319 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 8' ' ' ILE . 13.9 p -65.85 -71.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.026 HD11 ' HG ' ' A' ' 33' ' ' LEU . 3.0 tp -44.45 -44.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.59 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -65.73 -64.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.653 1.22 . . . . 0.0 109.922 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.871 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -67.36 -48.4 67.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.102 . . . . 0.0 109.919 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.305 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.09 -23.23 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 19.4 t -71.85 -63.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 108.354 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -96.92 -44.05 7.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.871 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.4 m -60.95 -30.77 70.43 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.305 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -63.3 -73.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.835 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 1.6 t -108.12 46.08 0.98 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.593 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -165.88 -26.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 5.2 ttpt 66.21 -68.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -150.75 -43.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.4 m -34.3 110.73 0.39 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.059 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HA ' ' HD2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.93 178.25 7.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.574 1.829 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 43.9 t 179.83 -78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' SER . 2.0 mptp? -145.36 -47.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.688 ' CD ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -42.52 -91.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 68.86 176.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.4 mm -46.67 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -47.92 -57.93 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.916 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -52.42 -50.24 62.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.842 ' SD ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -40.01 -44.11 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 110.975 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.43 -65.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.007 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 25.3 m -52.25 -34.58 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.953 ' CD2' HG21 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.14 -66.51 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.026 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -71.67 -47.23 55.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.852 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.0 tt0 -69.08 0.38 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.007 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -138.78 28.03 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 21.1 mm-40 -142.19 7.05 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 1.007 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 101.4 34.14 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 37' ' ' GLY . 1.7 mm? -133.17 49.51 2.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -96.07 21.49 8.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 41' ' ' SER . 0.0 OUTLIER -90.86 11.48 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.653 ' HB2' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 95.02 177.39 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.973 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.931 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.99 17.59 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.776 ' O ' ' N ' ' A' ' 46' ' ' TYR . 8.2 t -68.4 -23.25 64.63 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.433 1.083 . . . . 0.0 110.181 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' ' HB3' ' A' ' 50' ' ' SER . 7.1 t70 -37.2 -31.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.979 ' CD2' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -77.67 -34.62 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.97 ' CD1' HG21 ' A' ' 4' ' ' VAL . 11.2 m-30 -55.2 -12.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -134.58 128.76 19.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.928 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.12 24.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.88 58.1 4.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.65 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -124.43 14.27 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.796 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.93 ' CB ' HD22 ' A' ' 81' ' ' LEU . 21.3 m95 -97.38 -0.73 45.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 107.936 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.941 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -79.2 -19.82 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.38 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.941 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.05 -40.9 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.937 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.35 -18.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.63 ' OG1' ' CG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -67.5 -60.66 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -74.71 -13.05 60.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.398 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . . . -58.35 -71.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.079 ' CD2' HD13 ' A' ' 65' ' ' LEU . 1.4 mp -59.57 -41.97 91.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -34.55 65.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 5.1 mm-40 -69.51 -32.57 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.723 ' HB2' HD11 ' A' ' 64' ' ' ILE . 12.5 mtt-85 -154.48 66.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.43 0.17 20.66 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -11.09 51.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 1.195 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 61' ' ' ARG . 5.2 pt -103.28 18.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.079 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 tp -109.21 -132.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.602 ' H ' HD23 ' A' ' 65' ' ' LEU . . . 102.6 63.77 0.72 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.05 -0.88 13.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -178.66 36.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.88 -101.75 0.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.58 1.175 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -66.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.262 HD23 ' CE3' ' A' ' 74' ' ' TRP . 1.4 tp -146.68 19.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -48.72 -44.89 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.7 HG22 ' CD2' ' A' ' 32' ' ' LEU . 1.2 m -58.75 -43.44 90.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.262 ' CE3' HD23 ' A' ' 71' ' ' LEU . 22.8 t90 -56.33 -39.23 72.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -52.25 -46.76 56.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -61.26 -44.94 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.953 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.11 -57.75 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD23 ' HE1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.21 -60.11 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.99 -30.37 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.283 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.58 -47.81 58.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 109.224 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.93 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.2 tp -51.6 -44.27 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.651 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.06 -24.51 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -70.73 -37.82 73.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.35 -48.71 80.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -20.87 64.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -82.7 -46.86 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.245 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 1.036 ' H2 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.0 mt-10 -88.17 -34.75 17.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -66.24 -40.2 90.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.036 HG21 ' H2 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -47.36 -50.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.199 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -87.72 -43.29 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 28.2 mtpt -49.41 -37.4 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.084 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.31 -59.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -51.69 -41.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.699 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -70.14 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.045 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.959 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -56.18 -49.37 74.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.977 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.997 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.53 -60.45 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' HG23 ' A' ' 77' ' ' VAL . 36.3 t -32.13 -50.89 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 108.363 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -97.39 -61.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.959 ' N ' ' O ' ' A' ' 10' ' ' SER . 5.4 m -50.1 -37.4 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 110.381 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.238 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -58.85 -73.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.804 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 29.8 t -108.3 46.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -166.54 -24.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' CA ' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER 63.66 -75.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -143.04 -43.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.588 ' C ' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -21.78 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -74.99 -179.66 5.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.411 1.743 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.552 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 161.7 -67.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 22' ' ' SER . 0.9 OUTLIER 160.34 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.408 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.863 ' HB3' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER 70.98 4.68 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CG ' ' H ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -72.22 -93.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' H ' ' CG ' ' A' ' 25' ' ' GLU . 19.9 mt -50.59 -33.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.72 -55.04 19.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.06 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -51.57 -56.04 15.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 0.732 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.746 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -35.02 -40.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.82 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.1 tp -93.27 -74.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.07 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -50.59 -30.84 14.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.06 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.11 -64.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.649 1.218 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.13 HD13 HG13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -74.69 -48.33 26.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 30' ' ' LEU . 6.5 mt-30 -70.28 2.28 3.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.597 1.186 . . . . 0.0 110.345 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.07 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -138.82 26.45 2.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.841 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 9.0 mm-40 -140.53 5.82 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.8 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.999 HD22 ' CD1' ' A' ' 33' ' ' LEU . 4.6 mp -141.6 43.42 1.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -112.76 9.17 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.309 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -108.09 11.65 27.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 111.116 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 40' ' ' MET . 2.7 t 150.66 105.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.701 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -8.03 19.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.833 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -68.19 -10.63 55.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' OD1' ' CB ' ' A' ' 50' ' ' SER . 11.0 t70 -36.09 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.084 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -52.09 -36.05 49.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 6.4 m-30 -61.67 -7.65 3.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -118.7 144.38 35.38 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.08 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' PRO . . . 113.43 64.46 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.747 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 8.1 t -111.67 -18.15 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.936 ' HB3' HD22 ' A' ' 81' ' ' LEU . 87.0 m95 -96.44 -22.71 16.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.869 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -73.84 -28.45 0.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.869 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.8 Cg_endo -75.06 -31.84 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.13 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.58 -24.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.667 ' OG1' HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -64.0 -56.32 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.16 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.13 -75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.112 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -51.39 -38.44 53.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.049 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.7 t -59.35 -36.18 75.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.54 -21.93 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.23 70.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.954 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -75.56 -21.61 57.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.56 ' HB3' HD12 ' A' ' 64' ' ' ILE . 23.4 ttm -76.99 2.04 16.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -145.42 51.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 66' ' ' GLY . 6.6 tt -103.13 179.28 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.741 ' N ' HD23 ' A' ' 65' ' ' LEU . . . -86.45 26.16 6.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -119.32 -43.95 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 0.0 109.232 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t 73.95 -54.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.029 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.13 -63.55 1.29 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.388 1.055 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 71' ' ' LEU . 4.0 tt0 -172.9 -72.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 0.752 . . . . 0.0 110.347 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.112 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -178.9 31.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -66.2 -45.7 79.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.863 HG22 ' HB3' ' A' ' 24' ' ' LYS . 1.3 p -59.8 -46.66 88.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.107 ' CE3' HD23 ' A' ' 71' ' ' LEU . 67.8 t90 -57.37 -27.37 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 108.007 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.758 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -62.47 -61.25 6.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.417 1.073 . . . . 0.0 111.033 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.1 tt -60.9 -44.12 97.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.014 HG11 ' HG ' ' A' ' 32' ' ' LEU . 1.1 p -66.17 -58.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.895 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -70.63 -59.26 2.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.758 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -34.09 -31.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.064 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.238 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -70.68 -48.06 56.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.6 tp -52.84 -44.17 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.89 ' HE2' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -70.01 -24.12 63.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.076 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.26 -35.32 75.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.635 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.33 -49.71 70.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -16.18 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.21 -44.02 15.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.634 ' CA ' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.711 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.1 tt0 67.19 -50.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.346 0.674 . . . . 0.0 110.262 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.76 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -68.75 -44.4 73.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -43.21 -50.62 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.219 HD13 ' N ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.72 -47.74 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.711 ' CB ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -46.52 -34.44 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.114 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -67.92 -62.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.37 1.044 . . . . 0.0 109.382 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.12 HG22 ' SD ' ' A' ' 29' ' ' MET . 4.4 mt -49.75 -40.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.804 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.2 OUTLIER -67.96 -68.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.92 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -60.5 -51.46 69.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.185 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -50.16 -53.88 24.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.712 ' SG ' HG13 ' A' ' 77' ' ' VAL . 35.8 t -36.78 -55.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 108.221 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.771 ' O ' ' N ' ' A' ' 18' ' ' LYS . 15.4 tptp -94.81 -59.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.92 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.1 m -47.36 -31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.247 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -71.44 -80.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.857 ' HB3' ' O ' ' A' ' 76' ' ' LEU . 4.6 t -107.86 48.09 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -169.15 -14.05 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.771 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER 58.46 -172.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.516 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 1.8 m -62.28 -47.59 83.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' THR . 42.8 t -37.83 103.47 0.26 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.87 179.38 6.1 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.617 1.851 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 154.45 49.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 12.2 mptt 68.7 157.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtmp? 80.51 -50.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LYS . 14.3 tt0 -34.55 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.15 -37.73 47.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.224 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -56.75 -77.22 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.416 1.072 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.02 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -47.13 -40.02 14.64 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.604 0.826 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.12 ' SD ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -40.4 -54.11 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.96 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -99.13 -50.39 4.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.212 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 35.0 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.02 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.81 -69.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.093 ' CD1' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -70.3 -47.41 61.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.176 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.29 5.81 5.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.594 1.184 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.212 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -142.84 31.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.834 ' HG2' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.58 -4.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 118.74 28.24 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.093 HD22 ' CD1' ' A' ' 33' ' ' LEU . 5.0 mp -131.89 43.15 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.41 13.18 27.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.627 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.1 ttt -105.42 8.15 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 40' ' ' MET . 3.9 p 148.55 110.51 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.727 ' HB2' HD12 ' A' ' 5' ' ' ILE . 17.8 Cg_endo -75.2 -6.49 17.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.796 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -68.33 -12.81 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.997 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 43' ' ' SER . 40.6 t0 -35.47 -35.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.114 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -51.05 -34.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.7 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.5 m-30 -56.95 -12.84 2.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -100.54 144.89 29.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.054 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 94.63 58.61 1.18 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.681 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -93.22 0.71 57.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 0.812 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.881 ' HB3' HD22 ' A' ' 81' ' ' LEU . 78.7 m95 -98.63 -17.0 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.906 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -78.11 -25.33 0.47 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.906 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.0 -39.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -72.29 -21.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -59.23 -59.59 5.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.348 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' THR . . . -80.19 -14.96 58.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -54.19 -68.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.082 HD13 ' CD1' ' A' ' 74' ' ' TRP . 3.0 mp -64.58 -43.89 92.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -53.88 -35.19 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.919 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' ALA . 21.4 tp60 -71.72 -32.54 67.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 3.1 mmm180 -149.9 63.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.939 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -71.26 -5.61 33.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.504 ' C ' HD12 ' A' ' 64' ' ' ILE . 26.4 mmm -94.52 10.64 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.936 ' C ' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -102.57 -10.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.018 ' CD1' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.73 -158.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.5 81.65 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 30.35 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t 177.22 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.85 -98.5 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 -73.92 0.67 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.028 HD11 ' HB3' ' A' ' 58' ' ' LEU . 1.2 tp -138.33 23.51 2.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -47.84 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -58.43 -44.21 89.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.082 ' CD1' HD13 ' A' ' 58' ' ' LEU . 32.6 t90 -53.67 -31.22 46.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 1.194 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.727 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -60.28 -50.39 68.19 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.628 1.205 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 7.2 mp -60.52 -44.7 95.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 0.795 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.911 HG21 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.34 -59.54 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.751 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.64 -58.19 5.66 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.727 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -37.84 -31.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.125 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.247 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -71.5 -48.46 48.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.8 tp -52.54 -44.29 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CE ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.79 -23.39 63.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -71.63 -35.69 70.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.645 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -63.44 -50.07 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -24.68 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.63 -34.85 46.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.624 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -55.54 -10.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.184 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.885 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -86.78 -37.46 17.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.071 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.71 -28.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.221 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -92.44 -66.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -50.84 -19.2 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.99 HG13 ' H ' ' A' ' 8' ' ' ILE . 7.2 p -66.3 -73.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.044 HD11 ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.78 -39.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -73.84 -70.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.864 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -54.66 -45.08 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.207 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -51.85 -57.8 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.987 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 28.6 t -33.69 -51.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -95.87 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.864 ' N ' ' O ' ' A' ' 10' ' ' SER . 20.3 m -47.08 -33.6 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.207 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -60.33 -72.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.864 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -104.33 -50.6 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.325 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' PRO . . . -60.37 -12.81 26.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.894 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.93 -172.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -107.06 13.14 27.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -86.24 -63.1 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.96 -175.61 2.44 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.564 1.823 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 11.1 t -149.73 19.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -73.26 124.92 26.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER 35.15 50.07 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -71.23 -103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' MET . 56.6 mt -50.83 -31.97 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -51.4 -64.28 3.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.158 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -48.58 -46.39 39.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.682 ' HG3' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -46.23 -53.42 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.789 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.9 mt -81.1 -58.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.115 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 70.8 m -50.74 -27.7 7.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.158 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 2.2 mm? -71.71 -68.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.044 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.3 -45.87 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.789 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.45 -1.65 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.115 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -131.51 25.28 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.741 ' CG ' ' HG ' ' A' ' 58' ' ' LEU . 7.8 mm-40 -133.06 4.86 3.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.52 21.08 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -121.01 28.69 7.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.37 0.688 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.758 HD23 HD12 ' A' ' 33' ' ' LEU . 1.5 tm? -110.93 152.73 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.06 -21.69 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 165.29 169.17 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.903 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.6 Cg_endo -74.92 21.5 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.387 1.73 . . . . 0.0 111.053 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.717 ' O ' ' N ' ' A' ' 46' ' ' TYR . 26.6 t -70.5 -19.79 62.9 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' OD2' ' CD1' ' A' ' 51' ' ' TRP . 5.1 t70 -39.84 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.071 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -87.51 -34.13 18.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 1.045 ' CD1' HG21 ' A' ' 4' ' ' VAL . 9.9 m-30 -54.72 -13.37 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -149.21 133.18 8.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.603 1.844 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.42 68.08 1.24 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.659 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -135.34 11.32 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 0.725 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.976 ' CB ' HD22 ' A' ' 81' ' ' LEU . 22.7 m95 -95.68 -1.75 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 108.035 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.936 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -73.64 -20.98 0.43 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.388 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.936 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 17.9 Cg_endo -75.15 -44.42 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.22 -22.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.802 ' OG1' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -61.02 -57.24 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLN . . . -78.12 -13.31 59.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 54' ' ' ILE . . . -59.12 -75.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.179 HD13 ' CD1' ' A' ' 74' ' ' TRP . 1.9 mp -57.47 -44.4 84.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 t -53.26 -36.99 61.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 31.2 tp60 -73.03 -24.37 60.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HB3' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -160.07 67.9 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -64.42 -19.92 65.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.851 ' C ' HD12 ' A' ' 64' ' ' ILE . 11.6 mmt -72.53 -0.96 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.851 HD12 ' C ' ' A' ' 63' ' ' MET . 2.7 mp -125.0 37.92 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.148 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.5 tp -104.87 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.764 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -44.66 -45.84 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -118.57 143.01 47.06 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.508 0.77 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 p -74.04 -6.44 47.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.07 -93.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 2.2 tt0 -146.38 -72.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.35 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.078 HD23 ' CE3' ' A' ' 74' ' ' TRP . 2.2 tp 174.57 39.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -55.99 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -52.85 -41.46 64.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.397 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.179 ' CD1' HD13 ' A' ' 58' ' ' LEU . 39.0 t90 -58.9 -30.08 67.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.686 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -61.82 -53.9 39.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.17 -48.33 73.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 0.786 . . . . 0.0 109.383 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.949 HG11 ' HG ' ' A' ' 32' ' ' LEU . 7.7 p -63.92 -56.11 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -69.66 -58.02 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.4 -28.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.136 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -65.42 -47.75 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.205 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.976 HD22 ' CB ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -51.82 -43.31 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.76 -24.66 66.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.16 -37.86 78.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -61.58 -48.3 81.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -15.61 61.42 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.34 -59.27 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' HA3' ' OH ' ' A' ' 46' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.805 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 3.0 tt0 66.12 -44.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -61.59 -43.55 98.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.97 ' CG1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -42.19 -50.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.067 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -89.53 -41.4 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.805 ' HB2' ' O ' ' A' ' 2' ' ' GLU . 5.6 mttm -51.07 -39.51 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.066 ' CG1' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -66.99 -62.17 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.693 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -50.54 -44.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.403 1.065 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.56 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 43.8 t -69.13 -66.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.961 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -57.28 -48.26 79.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.147 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -54.46 -62.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 77' ' ' VAL . 49.4 t -33.54 -47.7 0.24 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 108.333 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.917 ' O ' ' N ' ' A' ' 18' ' ' LYS . 2.7 ttpt -97.21 -68.53 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.961 ' N ' ' O ' ' A' ' 10' ' ' SER . 4.6 m -43.86 -27.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.236 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -75.41 -87.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 4.6 t -111.55 -33.82 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 1.188 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -66.76 -3.92 23.83 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.917 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -33.03 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 0.817 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.816 ' C ' ' HD2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -63.05 33.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 110.381 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.704 ' H ' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -22.56 -49.18 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.816 ' HD2' ' C ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.43 1.753 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.791 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.3 t -114.96 -26.9 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER 81.27 148.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER 80.62 14.28 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 23' ' ' LYS . 10.9 mp0 -76.35 -83.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 29' ' ' MET . 22.1 mm -52.65 -45.79 48.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.07 33.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.948 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -54.75 -54.51 41.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.93 ' SD ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -36.25 -42.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.93 HD12 ' SD ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -91.91 -71.19 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.996 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -49.71 -34.46 18.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.112 HD12 HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -69.68 -67.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -71.2 -49.59 41.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.835 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.56 0.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.057 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.996 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -137.38 26.57 2.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.886 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 2.9 mm-40 -140.51 6.99 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.613 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 111.45 22.0 6.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.399 1.062 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 33' ' ' LEU . 1.5 mm? -123.07 39.37 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HG ' ' CG ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -108.13 4.98 25.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.716 ' O ' ' CB ' ' A' ' 41' ' ' SER . 1.2 ttm -103.51 11.21 36.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.716 ' CB ' ' O ' ' A' ' 40' ' ' MET . 26.0 t 136.74 118.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 110.038 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.97 -2.28 12.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.822 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -67.09 -14.44 62.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.993 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' SER . 23.0 t0 -37.28 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.066 HD12 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -60.89 -32.94 72.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.894 ' CD1' HG13 ' A' ' 4' ' ' VAL . 6.2 m-30 -55.5 -11.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.1 t -119.36 148.57 45.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.29 63.97 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.77 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -109.27 -15.88 14.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 0.0 110.091 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.958 ' HB3' HD22 ' A' ' 81' ' ' LEU . 86.0 m95 -96.83 -16.64 20.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.858 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -80.48 -28.24 0.5 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.858 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -74.98 -34.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.398 1.736 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.112 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.58 -22.81 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.749 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.0 -60.7 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 55' ' ' THR . . . -73.62 -11.69 60.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.886 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -60.88 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.093 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -52.87 -42.06 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.093 ' N ' HD22 ' A' ' 58' ' ' LEU . 5.2 t -53.04 -36.5 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 60' ' ' GLN . 2.0 tp-100 -73.45 -21.61 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -166.58 70.47 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 58' ' ' LEU . . . -64.11 -11.65 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -8.83 56.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.43 57.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.173 HD13 ' CD2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -97.43 -129.4 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.883 ' H ' HD23 ' A' ' 65' ' ' LEU . . . -85.48 -71.31 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.591 1.182 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -170.89 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 0.807 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -77.37 -12.07 59.91 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.397 1.06 . . . . 0.0 109.946 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 68' ' ' SER . . . -37.09 -93.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 6.4 tt0 -174.26 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.173 ' CD2' HD13 ' A' ' 65' ' ' LEU . 14.9 mt -158.97 22.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -60.91 -46.26 91.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.019 ' CE2' HD11 ' A' ' 58' ' ' LEU . 49.4 t90 -59.2 -37.8 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -50.19 -47.54 41.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 2.6 mp -64.88 -57.5 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -51.18 -57.06 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.754 ' HG ' ' CZ2' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.08 -60.84 2.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -36.74 -29.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.236 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -73.48 -49.71 25.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 0.813 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.958 HD22 ' HB3' ' A' ' 51' ' ' TRP . 3.1 tp -53.85 -44.0 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.649 ' HE3' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.82 -24.09 62.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.88 -34.83 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.1 -50.68 65.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -60.71 -27.95 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.7 12.19 35.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.648 ' O ' HD11 ' A' ' 5' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.623 ' C ' HD13 ' A' ' 5' ' ' ILE . 2.0 mm-40 -56.6 -8.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.791 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -86.59 -39.31 16.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.074 ' HA ' ' HB3' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.83 -26.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.218 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -93.09 -68.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.803 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -49.73 -22.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.003 HG11 ' HB2' ' A' ' 45' ' ' LEU . 8.5 p -65.38 -70.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.915 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.93 -45.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.676 ' HA ' ' HB2' ' A' ' 29' ' ' MET . 0.3 OUTLIER -67.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.879 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.28 -52.63 62.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.275 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -53.8 -21.61 7.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.852 ' SG ' ' CG2' ' A' ' 77' ' ' VAL . 1.0 OUTLIER -74.26 -59.73 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.66 ' NZ ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -98.84 -45.09 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.879 ' N ' ' O ' ' A' ' 10' ' ' SER . 6.5 m -62.88 -30.4 71.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.275 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -55.48 -69.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.847 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -98.02 -48.62 5.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 108.284 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.67 ' O ' ' N ' ' A' ' 19' ' ' THR . . . -60.46 -20.19 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 17' ' ' GLY . 2.5 tptt 27.83 -87.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.365 0.685 . . . . 0.0 109.245 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 17' ' ' GLY . 30.1 m -34.88 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 23.3 t -32.85 107.56 0.28 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.093 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -44.17 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.78 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t 171.06 59.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 5.6 mtmp? -142.92 110.79 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.1 mmtm 89.21 -31.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 41.1 tt0 -43.37 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' MET . 4.6 mt -52.73 -33.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -60.81 -77.1 0.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.067 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -48.06 -40.3 22.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.676 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 1.2 ttt -42.3 -54.3 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -98.94 -51.28 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.615 1.197 . . . . 0.0 109.355 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.033 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 3.4 m -55.69 -34.09 64.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.067 HD23 ' HB1' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -72.98 -66.27 0.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CD1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -72.49 -47.98 44.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.842 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -67.96 -1.47 5.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.033 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -134.73 25.05 3.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.692 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 2.2 mm-40 -132.45 5.09 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 79.9 38.09 20.57 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -141.23 44.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.374 0.691 . . . . 0.0 109.357 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -99.38 100.38 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.569 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.8 tpp -142.82 -29.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.2 OUTLIER 154.16 163.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.926 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.861 ' O ' HG22 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.0 20.05 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.75 ' O ' ' N ' ' A' ' 46' ' ' TYR . 4.0 m -71.93 -19.5 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.0 t70 -38.98 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.074 ' HB3' ' HA ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -76.7 -34.64 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.39 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 1.029 ' CD1' HG21 ' A' ' 4' ' ' VAL . 15.3 m-30 -55.06 -14.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.5 t -140.27 122.99 10.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.056 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.26 15.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.411 1.743 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.46 53.01 2.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.419 1.074 . . . . 0.0 111.089 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.643 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -127.52 12.51 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.885 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 12.7 m95 -96.36 -0.78 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.071 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.929 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.98 -20.43 0.39 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.974 ' HB2' HD22 ' A' ' 38' ' ' LEU . 18.5 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.579 1.831 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.29 -25.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.781 ' OG1' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -66.55 -51.44 56.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -15.11 61.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.692 ' HB1' ' OE1' ' A' ' 36' ' ' GLU . . . -65.56 -74.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.135 HD22 ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -48.68 -34.36 11.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.614 1.196 . . . . 0.0 109.379 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.135 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.6 t -61.17 -35.73 77.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -67.56 -30.6 70.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HD2' HD13 ' A' ' 64' ' ' ILE . 1.3 mtt85 -155.04 62.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.626 1.204 . . . . 0.0 110.28 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.56 -38.97 88.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.3 mtt -72.62 -9.44 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.715 ' O ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.5 64.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.006 HD22 HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -104.32 -146.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.598 ' N ' ' HG ' ' A' ' 65' ' ' LEU . . . -54.7 -46.12 76.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.0 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLY . 59.4 p -59.98 -28.81 67.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -36.08 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 4.5 tt0 -165.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 0.713 . . . . 0.0 110.302 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -168.35 22.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -65.79 -48.01 73.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' ALA . 2.5 m -61.37 -47.55 85.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.009 ' CE3' HD23 ' A' ' 71' ' ' LEU . 5.2 t90 -62.15 -49.72 74.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 0.0 108.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -36.83 -52.94 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 1.2 mt -68.52 -37.59 80.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.897 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -67.94 -57.01 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.785 HD23 HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -70.78 -54.67 10.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -39.84 -31.12 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.126 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -69.42 -47.81 62.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.6 tm? -53.94 -44.73 70.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.724 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -70.14 -23.11 62.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.29 -35.36 75.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.652 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -65.02 -52.48 55.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -18.85 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -65.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.814 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 5.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' C ' HD13 ' A' ' 45' ' ' LEU . . . -91.36 -52.02 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.128 HG13 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.02 -30.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.226 HD12 ' N ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -91.77 -68.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.712 ' O ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -44.67 -24.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 ' CB ' ' A' ' 45' ' ' LEU . 11.8 p -67.53 -72.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.958 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -44.43 -41.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.558 1.162 . . . . 0.0 109.226 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.97 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.839 ' O ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -64.78 -46.2 83.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.272 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . -52.4 -21.29 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.028 ' SG ' ' HB3' ' A' ' 28' ' ' ALA . 53.8 t -73.79 -63.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.406 1.066 . . . . 0.0 108.231 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.688 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -92.62 -45.75 7.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.839 ' N ' ' O ' ' A' ' 10' ' ' SER . 2.7 m -60.08 -26.74 66.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.375 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.359 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -72.92 -74.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.926 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -103.86 40.16 1.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.688 ' CA ' ' O ' ' A' ' 13' ' ' LYS . . . -164.87 3.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -34.64 155.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER 69.01 7.98 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.3 m -81.29 147.68 61.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' SER . 18.1 Cg_endo -75.04 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER 165.49 115.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -139.82 -113.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.61 ' CB ' ' CG2' ' A' ' 73' ' ' THR . 0.1 OUTLIER -90.83 22.79 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.528 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tt0 -46.16 -88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.777 HG23 ' SD ' ' A' ' 29' ' ' MET . 34.0 mt -53.19 -32.65 19.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' SER . . . -49.53 -77.07 0.13 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.217 ' O ' ' HB2' ' A' ' 32' ' ' LEU . . . -50.22 -48.17 54.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.777 ' SD ' HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -39.77 -49.32 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.072 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.849 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -93.21 -57.15 2.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.056 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 8.1 t -51.93 -37.23 51.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.049 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.217 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -67.33 -67.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.611 1.195 . . . . 0.0 109.356 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 HG13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -68.17 -47.02 69.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.924 ' HG2' HD23 ' A' ' 39' ' ' LEU . 6.0 tm0? -69.24 1.04 4.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.056 ' CB ' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -136.86 25.92 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.935 ' OE1' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.9 9.76 1.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 74.25 36.54 50.35 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.432 1.083 . . . . 0.0 111.08 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 53' ' ' PRO . 6.6 mp -124.16 33.57 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.384 0.697 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -100.75 97.1 7.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.2 tmm? -144.31 -26.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' MET . 0.3 OUTLIER 157.4 159.8 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' HG12 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 0.88 8.37 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.795 ' HA ' HG11 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -61.91 -16.83 53.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 10.0 t70 -45.99 -22.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.128 ' CD2' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -82.77 -32.74 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.667 ' CD2' ' OG ' ' A' ' 43' ' ' SER . 8.8 m-30 -55.8 -11.32 0.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' LEU . 17.6 t -138.7 131.05 15.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.94 43.73 93.1 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.564 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -107.6 7.3 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.909 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.937 ' CB ' HD22 ' A' ' 81' ' ' LEU . 34.5 m95 -96.12 -2.44 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.907 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -24.13 0.52 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.907 ' CD ' ' N ' ' A' ' 52' ' ' ASP . 18.4 Cg_endo -74.98 -35.25 3.27 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.595 1.839 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.962 HG13 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -79.54 -20.65 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.083 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.955 ' OG1' HD11 ' A' ' 78' ' ' LEU . 1.2 m -70.61 -51.86 25.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 60' ' ' GLN . . . -76.32 -15.35 60.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -69.46 -67.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.205 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -52.47 -40.25 62.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.934 ' H ' HD13 ' A' ' 58' ' ' LEU . 8.5 t -67.45 -37.49 83.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 12.1 mm100 -69.44 -31.58 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.612 ' HB3' HD12 ' A' ' 64' ' ' ILE . 31.8 mtt-85 -142.71 54.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.765 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -76.38 1.18 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -6.42 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.919 ' C ' HD23 ' A' ' 65' ' ' LEU . 4.5 mt -98.8 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.25 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.919 HD23 ' C ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -129.23 144.23 51.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.792 ' N ' ' H ' ' A' ' 71' ' ' LEU . . . 92.15 -26.93 11.28 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -117.48 -64.44 1.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.95 0.64 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 70' ' ' GLU . . . -144.61 -106.57 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.417 1.073 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.636 ' N ' ' H ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER 176.71 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.205 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.205 HD21 ' CD2' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -50.47 -21.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -45.06 -41.72 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -58.92 -43.32 91.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.476 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 1.027 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.2 t90 -54.49 -51.25 65.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -37.81 -51.52 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -64.09 -40.89 97.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.396 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.942 HG11 ' HG ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -68.85 -57.8 7.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.955 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -69.2 -58.86 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 75' ' ' GLY . . . -38.25 -27.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.359 ' HB1' ' CG ' ' A' ' 15' ' ' TYR . . . -68.46 -52.25 34.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD22 ' CB ' ' A' ' 51' ' ' TRP . 2.0 tp -50.98 -44.07 60.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.606 1.191 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -71.4 -24.56 62.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -69.84 -35.2 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.655 ' HB2' ' OH ' ' A' ' 15' ' ' TYR . . . -64.29 -50.84 66.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -65.19 -21.62 66.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -85.23 -37.0 20.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 stop_ save_