data_1wpi_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 1wpi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.661 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.4 Cg_endo -74.98 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -147.31 -53.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -91.38 114.95 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.696 ' CG2' ' CZ3' ' A' ' 110' ' ' TRP . 19.7 mm -101.63 108.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' HG21 ' A' ' 111' ' ' VAL . 14.9 m -95.25 107.02 19.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HG ' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -109.19 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 2.8 m-85 -102.24 156.29 17.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.716 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.4 m -103.87 143.73 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.675 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 2.0 m120 -152.4 57.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.696 ' CB ' ' HD2' ' A' ' 105' ' ' PRO . 11.5 t0 57.54 158.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.795 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -173.86 -93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -132.18 -148.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -29.51 -84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.748 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -85.75 95.96 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -48.89 -32.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.65 -54.16 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.748 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -61.43 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.804 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 41.3 tp60 -44.86 -28.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.795 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.31 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.93 -56.74 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.359 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.726 ' HB2' ' O ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -32.88 -49.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.804 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.3 mm100 -73.63 -35.67 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -61.17 -50.17 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.747 ' CA ' ' HB3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -71.93 -14.85 62.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.5 tmtt? -62.99 6.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -84.36 -107.67 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.536 ' C ' ' HG3' ' A' ' 131' ' ' GLN . 11.3 t0 -60.17 -144.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -92.99 170.42 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.631 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 15.6 m -123.18 125.25 44.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.631 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.8 m170 151.74 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER 77.29 -44.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CZ ' ' CG2' ' A' ' 44' ' ' VAL . 4.4 p90 -133.82 168.61 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.65 121.63 41.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.664 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 1.8 t -93.17 139.21 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.675 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -118.56 118.43 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.6 mp -111.46 109.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -137.45 141.86 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.716 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.6 p30 -110.95 116.72 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.428 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -168.36 166.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.669 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 7.7 t80 -74.46 129.83 83.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.659 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 61.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 9.2 p -58.9 145.02 42.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.587 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -64.93 -23.41 67.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.007 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -58.43 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -32.92 25.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.643 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -67.68 -21.42 65.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -38.06 -33.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 51.8 m-85 -75.1 -45.4 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.514 ' CG ' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -73.9 -31.74 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -52.55 -30.55 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -83.51 -46.6 12.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -84.31 49.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -174.27 144.29 0.95 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.4 Cg_endo -74.99 -36.46 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -94.3 -16.92 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . 38.84 -106.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.507 ' HA ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 -38.5 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.624 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 5.2 t -48.14 -37.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -63.75 -36.55 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.643 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.1 mm? -74.09 -60.72 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.624 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 1.2 pm0 -54.8 -33.09 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.611 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 2.0 mmt180 -78.67 -20.8 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -41.47 81.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -85.14 159.96 55.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.486 ' HG2' ' CB ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -75.01 149.35 36.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 79' ' ' SER . 14.1 tttt 69.67 42.16 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.74 -61.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -40.19 -28.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -76.94 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.62 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 4.9 p -78.43 -32.83 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.848 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER -58.21 -10.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -118.81 -101.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.674 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -139.65 1.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.715 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -62.05 -139.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.589 ' CG ' HD11 ' A' ' 102' ' ' LEU . 49.3 m170 -27.46 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.923 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.3 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.974 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -39.06 -157.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.974 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.01 19.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -90.9 -43.0 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 97' ' ' CYS . 1.5 m-85 -107.39 -24.24 11.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.669 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -37.35 -104.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.671 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -27.52 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.671 ' H ' ' HG2' ' A' ' 92' ' ' MET . 80.4 m-20 -103.76 104.44 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.743 ' CD2' ' CG2' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -74.61 -21.83 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.665 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -59.92 -27.91 67.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.62 ' C ' ' HG2' ' A' ' 99' ' ' GLN . 18.2 mmtp -65.18 -27.62 68.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 4.9 m -99.71 -47.87 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.743 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 1.4 t -65.21 -28.04 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.665 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.64 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.618 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 156.31 -17.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.68 -134.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.714 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER 0.38 -77.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.702 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -140.94 159.79 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 47.4 p-10 -106.85 84.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.702 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -74.99 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -152.09 47.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.511 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.0 mm-40 -113.3 146.25 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.608 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . . . -112.54 125.51 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.27 117.21 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.815 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 1.1 t-105 -114.29 120.07 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.626 ' O ' ' CZ3' ' A' ' 110' ' ' TRP . 13.1 m -131.21 134.87 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.815 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.9 t0 -108.92 128.0 54.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.417 ' HZ2' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -107.68 5.25 26.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -93.8 -44.74 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 1.3 t30 -112.97 -3.42 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.625 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 71.6 38.75 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -108.68 117.72 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 59' ' ' MET . 40.9 t -126.99 155.7 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.426 ' O ' ' OD2' ' A' ' 124' ' ' ASP . . . -174.15 114.18 0.49 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 1.7 m-80 -69.66 90.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.52 ' CB ' ' OD2' ' A' ' 124' ' ' ASP . 0.3 OUTLIER 168.06 148.1 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.97 -23.31 13.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.64 58.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.52 ' OD2' ' CB ' ' A' ' 121' ' ' GLU . 47.6 m-20 -54.3 -32.93 57.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.681 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -72.99 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.746 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -48.93 -44.36 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.21 -52.57 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.701 ' CG ' HD11 ' A' ' 129' ' ' ILE . 1.1 t80 -82.93 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.701 HD11 ' CG ' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -131.47 94.07 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.86 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -61.52 -164.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.86 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -50.65 -17.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.585 ' H ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -151.06 24.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 129' ' ' ILE . 37.2 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' CB ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 pp0? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HB2' ' CG ' ' A' ' 112' ' ' ASP . 18.2 Cg_endo -74.96 163.34 35.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -110.53 -56.32 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 40.1 m -91.31 112.8 24.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mm -100.48 112.44 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' VAL . 13.2 t -98.82 104.61 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' CD1' HD13 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -111.52 149.06 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.643 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -116.76 159.36 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.636 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 2.5 m -102.0 143.85 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.651 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.8 m120 -155.92 62.11 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.622 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 5.2 t70 56.05 160.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.834 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -175.15 -88.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . . . -139.11 -132.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.578 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 2.8 m120 -85.59 100.32 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.683 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -50.57 -34.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.769 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.86 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.783 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.54 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.702 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 8.1 tp-100 -42.39 -33.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.834 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -47.88 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 79.2 m -96.71 -49.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.783 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -34.42 -44.92 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.702 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 34.3 mm-40 -80.31 -44.05 20.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -52.23 -43.38 64.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -82.57 -18.26 42.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.83 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.53 -54.31 23.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 35.5 m-20 -169.36 93.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -83.16 -176.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.533 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 61.4 m -168.68 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 162.05 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.568 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -128.96 -17.08 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -156.88 167.98 28.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.49 126.16 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.686 ' CG2' ' CE1' ' A' ' 42' ' ' PHE . 2.5 t -97.6 140.12 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -120.86 116.53 25.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.618 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -109.55 113.9 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -136.53 143.51 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 1.9 p30 -111.74 114.87 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -171.48 163.39 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.09 117.01 44.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' HD22 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.06 60.64 5.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.697 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -73.56 143.03 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.2 p90 -51.31 -21.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' THR . 34.7 t0 -42.54 -54.72 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.38 -59.36 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.637 ' CD1' ' HA ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -52.67 -20.59 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.706 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -35.9 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.1 m-85 -67.25 -56.08 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.557 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -77.04 -36.21 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.506 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -53.79 -24.66 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.87 -44.17 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.78 7.31 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -143.82 138.21 14.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.85 4.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -84.69 14.65 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.506 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . -29.3 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -31.54 6.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.561 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 2.4 t -49.17 -31.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -78.48 -38.67 40.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' A' ' 56' ' ' LEU . 3.1 mm? -73.11 -57.82 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 68' ' ' VAL . 14.1 pt20 -51.91 -45.04 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -70.08 -20.89 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.516 ' NE2' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.08 -38.15 78.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.669 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -84.83 164.74 40.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 163.13 35.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 51.66 70.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.882 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.75 -61.91 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.5 t70 -41.95 -25.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.623 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.28 -61.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.583 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 13.8 p -79.93 -37.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.882 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.26 1.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 80' ' ' VAL . 1.8 tmtp? -127.53 -98.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.6 m-85 -148.05 -6.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 ttpp -59.33 -133.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 84' ' ' LYS . 12.6 m-70 -31.15 -24.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.915 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -49.84 -30.78 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.972 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.29 -159.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.972 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.94 25.57 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.424 1.749 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.544 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -91.99 -43.12 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 1.7 m-85 -107.63 -28.83 9.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.628 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.79 -124.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.638 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -12.6 -61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.589 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 10.7 p-10 -117.84 99.89 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.729 ' C ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 -53.02 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.667 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -57.01 -25.67 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.595 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 5.5 mmmm -69.67 -27.13 64.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -98.43 -39.33 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 108.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.584 ' CG1' ' HB2' ' A' ' 20' ' ' ASP . 2.3 t -78.87 -24.43 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -34.22 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 98' ' ' VAL . 12.4 ptm180 173.47 -31.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -64.39 -150.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.654 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 30.34 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.659 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -147.94 158.09 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -99.3 99.69 8.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.699 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -75.03 -17.94 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.821 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 30.5 34.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 105' ' ' PRO . 6.6 mt-10 -103.65 157.59 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HB3' ' CA ' ' A' ' 122' ' ' PRO . . . -112.11 129.34 56.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.612 ' CB ' ' HB2' ' A' ' 17' ' ' PHE . 1.1 mm? -90.78 116.73 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.73 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -109.55 122.37 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 107.989 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.545 HG21 ' CG1' ' A' ' 118' ' ' VAL . 0.5 OUTLIER -148.24 133.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.73 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -125.86 132.83 52.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.69 7.52 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.4 tm-20 -91.28 -46.09 8.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -112.68 17.22 19.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 5.8 ptpt 52.81 41.55 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.615 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -110.32 146.22 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.556 ' CG1' ' CE ' ' A' ' 59' ' ' MET . 21.3 m -150.83 165.02 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.537 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 167.59 144.04 4.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 20.8 p-10 -92.95 174.36 7.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.4 OUTLIER 77.46 148.95 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.545 ' CA ' ' HB3' ' A' ' 108' ' ' ALA . 18.4 Cg_endo -75.05 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -56.42 -29.08 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -56.94 -48.46 78.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -47.0 -55.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.776 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.2 t0 -47.3 -53.02 14.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.55 -47.69 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.603 ' CD2' ' NE1' ' A' ' 110' ' ' TRP . 82.7 m-85 -87.04 -85.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.657 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -115.77 92.09 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.776 HG22 ' O ' ' A' ' 126' ' ' ASP . 2.6 pp -48.95 -161.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.98 -56.7 11.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.696 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -110.08 16.14 22.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.581 ' N ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 133' ' ' LYS . 7.8 pm0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.515 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.3 Cg_endo -75.03 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 8.6 ttt85 -142.76 -40.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 97.1 m -120.42 116.62 25.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.754 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 5.0 mm -104.16 124.86 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -95.83 100.89 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.645 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -112.39 119.44 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.4 m-30 -98.47 156.07 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.526 ' CG2' ' HB3' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -99.37 139.11 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.591 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -139.12 40.7 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.739 ' C ' HG13 ' A' ' 21' ' ' ILE . 8.8 t0 54.8 144.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.739 HG13 ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -150.81 -65.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.75 -144.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -30.08 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.731 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.3 m120 -84.72 100.84 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.7 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.8 mp -49.27 -41.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.813 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -81.85 -57.88 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.803 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.07 -65.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.791 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 52.2 tp60 -42.39 -35.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.813 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -49.16 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 1.6 t -95.39 -54.53 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.803 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -31.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.791 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.4 mm100 -77.48 -46.31 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 3.2 tp -51.77 -52.07 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.649 ' HB3' ' HB3' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -62.39 -29.92 70.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -65.94 -0.12 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -85.94 -86.48 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 t70 -68.87 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 39' ' ' SER . 2.0 t -157.87 146.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 153.67 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 14.6 t60 -179.34 161.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 1.4 ptp180 157.32 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.754 ' CE2' ' CG1' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -135.8 172.11 13.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.627 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.52 128.0 44.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 ' CZ ' ' A' ' 42' ' ' PHE . 39.4 t -89.59 135.79 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.6 mm-40 -108.21 109.21 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.635 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.33 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.43 133.02 22.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.526 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 0.9 OUTLIER -86.73 122.62 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.65 157.51 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.78 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.4 128.0 92.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HB2' ' CB ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 50.57 2.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.625 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.51 150.85 34.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.458 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 57' ' ' GLN . 1.7 p-90 -67.32 -24.96 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -60.42 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.82 -39.51 13.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.99 -23.67 65.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 17.7 tp60 -42.29 -43.21 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.43 ' O ' ' OG1' ' A' ' 61' ' ' THR . 2.6 m-85 -55.47 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.583 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 2.9 mmm -69.9 -30.8 68.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.571 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -55.88 -37.0 68.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -71.17 -40.48 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -99.66 69.43 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' A' ' 118' ' ' VAL . 0.1 OUTLIER 171.05 146.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.51 2.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -96.22 -4.34 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 18.09 -102.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 65' ' ' GLN . 3.7 p -42.71 -27.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.573 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -62.63 -48.57 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' CB ' ' HB2' ' A' ' 51' ' ' PRO . 1.6 mm? -73.29 -52.15 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -47.96 -41.97 26.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HA ' ' CG ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -81.04 -18.5 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' CB ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -69.48 -43.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.489 HG12 ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -79.96 164.35 53.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -74.98 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.1 OUTLIER 29.79 49.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.793 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -41.83 -64.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 14.0 t0 -41.13 -25.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.2 t -75.48 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.889 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 5.5 p -80.2 -32.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -61.31 -7.59 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -131.97 -96.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.58 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 72.8 t80 -166.11 9.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.721 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.3 ttpp -56.95 -149.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' O ' ' CG2' ' A' ' 89' ' ' THR . 0.1 OUTLIER -35.05 -22.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.107 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.9 t -54.46 -14.79 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.218 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.1 t0 -32.21 -142.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.218 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 20.62 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.2 t -81.29 -48.04 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.696 ' CD1' ' HB2' ' A' ' 97' ' ' CYS . 5.7 m-85 -101.95 -18.8 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -48.13 -167.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.667 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 21.83 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.667 ' H ' ' HG2' ' A' ' 92' ' ' MET . 20.2 m-20 -105.14 101.85 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.673 HD13 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.74 -23.3 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.7 OUTLIER -53.69 -28.39 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.668 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 2.7 mmtp -62.13 -30.92 71.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.696 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 20.5 m -96.34 -49.17 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.618 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 63.2 t -58.1 -33.96 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.692 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -42.19 -21.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.4 tmt_? 140.09 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.92 -116.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -15.98 -82.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.839 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -146.67 152.13 38.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.0 p-10 -90.0 99.89 2.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.839 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.631 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -145.0 43.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.574 ' CB ' ' HG3' ' A' ' 73' ' ' GLN . 5.4 mm-40 -128.88 156.15 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.55 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -117.31 142.7 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.633 ' N ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -110.96 112.16 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.633 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -111.53 134.19 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 15.3 m -157.51 128.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 117' ' ' LEU . 27.8 t70 -111.47 146.84 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.1 t90 -122.75 6.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.542 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -89.36 -47.31 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.616 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -115.74 21.96 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 11.2 ptpt 53.6 54.49 9.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.37 138.23 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.606 ' N ' ' CH2' ' A' ' 110' ' ' TRP . 71.4 t -149.5 144.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 175.43 143.27 4.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -93.51 173.59 7.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.67 144.3 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.9 -26.43 68.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.633 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -56.49 -47.46 79.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -45.0 -52.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.797 ' O ' HG23 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -50.97 -49.72 59.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.548 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -55.58 -57.9 10.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.642 ' HB3' ' CD1' ' A' ' 129' ' ' ILE . 69.9 m-85 -74.83 -83.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.642 ' CD1' ' HB3' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -128.78 91.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.823 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -53.22 -155.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.823 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.5 pt20 -53.61 -3.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.793 ' NE ' HD11 ' A' ' 130' ' ' ILE . 3.3 ppt_? -126.8 -169.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.701 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.3 Cg_endo -74.95 149.2 36.57 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -125.58 -45.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -121.98 119.55 31.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.643 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.8 mm -96.05 105.98 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -104.46 104.23 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -120.08 140.57 50.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 111' ' ' VAL . 2.5 m-30 -105.86 163.53 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.645 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.2 m -100.12 141.58 32.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.522 ' C ' ' CG1' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -147.87 35.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.6 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 8.3 t0 58.32 151.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.812 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -145.27 -79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -136.82 -134.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -34.31 -65.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.791 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 4.6 m-20 -101.77 140.75 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.812 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 mm -80.65 -46.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HA ' HG23 ' A' ' 18' ' ' THR . 1.8 ptpt -86.29 -48.79 8.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.725 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -54.3 -56.9 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.791 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 46.8 tp60 -59.36 -46.02 89.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.689 ' HB2' HD12 ' A' ' 21' ' ' ILE . 31.5 ttpt -33.05 -96.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -98.2 -41.03 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.298 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -37.95 -43.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.714 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 77.9 mm-40 -85.76 -34.17 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -62.94 -48.27 79.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' CD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -90.28 -7.25 53.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptp -49.13 -37.49 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.668 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -49.01 -95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 2.5 m-20 -87.29 165.12 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.631 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 178.62 143.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 4.1 p 148.46 132.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.5 m170 33.58 -132.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.593 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 10.6 mpt_? 63.44 -146.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CE2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -83.88 172.29 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.76 121.1 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.58 ' CG1' ' CD2' ' A' ' 34' ' ' LEU . 10.6 t -89.99 139.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -110.29 114.97 28.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.538 HG23 ' CE ' ' A' ' 29' ' ' LYS . 2.2 mp -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -139.5 141.25 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.645 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 11.1 p30 -100.92 119.89 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -169.25 158.61 8.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CD1' ' HD2' ' A' ' 51' ' ' PRO . 14.0 t80 -80.19 137.29 52.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.786 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.97 59.78 5.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 7.2 p -56.31 131.4 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' HD23 ' A' ' 56' ' ' LEU . 1.9 t-105 -51.39 -24.86 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -86.55 -31.13 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.662 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -59.34 -25.9 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.503 ' NE2' ' CE1' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -41.36 -34.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 42.1 m-85 -74.97 -44.44 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.506 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -71.15 -31.99 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -55.81 -43.43 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -46.8 72.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.25 46.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 13.1 t -178.38 134.7 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.2 Cg_endo -75.05 -32.39 5.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.516 ' O ' ' C ' ' A' ' 66' ' ' GLY . 31.2 mt-30 -94.99 -21.23 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 27.48 -100.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.672 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -47.09 -25.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -79.27 -41.1 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD1' HD13 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -78.61 -55.6 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.519 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 11.6 pt20 -53.22 -47.44 68.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.672 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 11.2 mmm-85 -72.73 -23.24 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -63.14 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -86.76 138.53 33.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.0 54.38 3.62 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 79' ' ' SER . 0.0 OUTLIER -173.95 30.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.784 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.32 -62.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.514 ' N ' HD21 ' A' ' 81' ' ' LEU . 9.3 t0 -38.84 -31.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.576 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 38.6 m -84.76 -58.9 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.554 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.2 p -77.89 -52.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.784 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.87 -25.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 19.0 mmmt -99.0 -106.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -143.1 -6.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.35 -133.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.543 ' C ' ' O ' ' A' ' 84' ' ' LYS . 37.5 m-70 -26.92 -28.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.936 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.72 -29.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.942 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER -39.53 -157.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 21.74 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.609 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -87.42 -47.42 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.609 ' N ' HG23 ' A' ' 89' ' ' THR . 2.1 m-85 -108.97 -25.15 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 50' ' ' PHE . . . -35.7 -101.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.639 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -29.95 -101.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.639 ' H ' ' HG2' ' A' ' 92' ' ' MET . 3.9 m-20 -103.18 105.43 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.667 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -74.66 -39.52 61.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.62 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 1.4 tt0 -49.52 -29.95 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.64 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 13.0 mmtp -65.69 -28.2 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.9 m -97.8 -48.0 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.621 ' HB ' ' CD2' ' A' ' 94' ' ' LEU . 2.3 t -64.21 -30.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -38.85 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' VAL . 13.7 ttt-85 174.52 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -66.76 -167.87 2.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 89' ' ' THR . 0.3 OUTLIER 36.33 -95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.289 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -147.26 153.21 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.441 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 19.0 p-10 -98.69 105.47 30.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.804 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.0 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.804 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 27.38 44.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 38.5 mm-40 -131.16 152.13 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.94 131.31 56.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.63 ' H ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -94.54 112.68 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.816 ' CZ2' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -112.75 110.27 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.61 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 20.2 m -127.7 135.53 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.816 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -110.25 138.05 47.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.498 ' CD1' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -104.44 -83.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.52 -9.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.689 ' HB3' ' HB3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -97.67 -2.03 42.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 46.07 35.76 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.4 OUTLIER -136.56 151.16 49.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.506 HG21 ' HG3' ' A' ' 59' ' ' MET . 13.4 t -152.3 164.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 118' ' ' VAL . . . 171.45 110.45 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 5.2 t-20 -74.2 98.97 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.1 mt-10 157.62 154.11 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -22.82 14.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.434 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -75.74 -31.41 59.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.616 ' CG ' ' CD1' ' A' ' 110' ' ' TRP . 10.6 t0 -52.25 -33.0 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.517 HG21 ' N ' ' A' ' 126' ' ' ASP . 0.2 OUTLIER -68.54 -56.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.805 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -56.6 -51.73 67.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -46.54 -51.01 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.701 ' CZ ' ' HG3' ' A' ' 11' ' ' PRO . 1.4 t80 -92.51 -92.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.72 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.6 OUTLIER -101.91 89.84 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.805 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 2.7 pp -45.56 -164.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.668 ' OE1' ' N ' ' A' ' 36' ' ' GLY . 12.8 mt-30 -51.17 -54.07 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -125.88 90.27 3.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 133' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.587 ' CB ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.97 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.423 ' H ' ' CG ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.54 -72.33 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.691 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 7.7 m -92.18 118.42 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.786 HG21 ' CZ3' ' A' ' 110' ' ' TRP . 8.7 mm -95.69 112.65 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.13 98.75 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.702 HD22 ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -107.03 131.24 54.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.4 m-30 -103.8 150.21 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.649 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -103.75 138.29 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.3 t-20 -136.02 39.86 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.602 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 56.65 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.725 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -158.94 -83.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.89 -124.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -40.21 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.756 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m-20 -82.41 102.71 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.722 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -42.34 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.87 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.77 -69.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 57.1 tp60 -41.15 -32.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.725 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -51.14 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.499 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 4.2 m -94.13 -45.42 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.87 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -35.96 -40.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.642 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 25.7 mm-40 -82.01 -43.25 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.99 -43.07 73.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.619 ' CD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.94 -18.06 48.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.3 tttm -58.8 -11.84 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.49 93.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 14.1 m-20 -151.36 -170.79 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -157.86 164.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.525 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.3 OUTLIER 169.97 -162.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 119.7 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -179.32 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.836 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -150.23 161.88 41.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 1.9 m-20 -113.18 125.28 54.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.762 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 2.9 t -94.78 133.91 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.06 116.69 32.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -109.43 105.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.35 135.1 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 6.4 p30 -95.48 119.79 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' C ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -162.86 155.18 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.758 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.88 123.94 89.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HG3' ' CD1' ' A' ' 109' ' ' LEU . 18.3 Cg_endo -74.95 58.05 4.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.645 HG21 ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -63.5 159.28 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.633 ' CZ3' ' HB2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -67.8 -25.91 65.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 108.01 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.5 -59.06 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.3 mt-30 -81.94 -43.02 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.562 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.68 -24.13 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -44.48 -31.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 24.1 m-85 -73.16 -55.95 5.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' HG11 ' A' ' 118' ' ' VAL . 0.7 OUTLIER -68.34 -29.91 68.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -51.11 -33.14 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.28 -43.93 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -56.32 -33.7 65.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.9 m -147.67 149.48 33.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.22 12.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.583 ' O ' ' CB ' ' A' ' 69' ' ' SER . 1.1 mp0 -81.18 10.12 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 60' ' ' ARG . . . -33.61 -90.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.1 Cg_endo -75.04 -43.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.669 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -43.53 -33.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 70.2 p -78.71 -37.69 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.576 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -73.02 -56.95 4.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 2.0 mm100 -54.26 -43.28 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.669 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -74.33 -16.08 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 69' ' ' SER . 6.7 tp-100 -66.93 -40.5 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.9 140.77 54.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.01 70.02 5.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG3' ' CE3' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 167.21 37.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.27 -61.08 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 10.5 t0 -39.31 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.593 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 52.3 m -87.14 -59.13 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.698 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 14.7 p -78.23 -47.67 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.64 -12.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -116.24 -103.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' ' O ' ' A' ' 84' ' ' LYS . 5.9 m-85 -152.18 -0.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.78 ' O ' ' N ' ' A' ' 86' ' ' THR . 5.5 tttt -54.32 -138.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.698 ' CE1' ' HB ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -34.76 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.074 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -47.35 -24.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.074 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -33.18 -156.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.006 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 22.08 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -78.66 -46.45 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.815 ' CE1' ' HB3' ' A' ' 97' ' ' CYS . 11.9 m-85 -107.69 -18.56 13.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.88 -171.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.69 ' N ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER 27.77 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.625 ' H ' ' HG2' ' A' ' 92' ' ' MET . 54.2 m-20 -102.97 101.82 11.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -75.38 -32.81 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.512 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -52.31 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.659 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.3 mmmm -70.46 -21.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.815 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -95.13 -44.54 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 94' ' ' LEU . 1.6 m -73.26 -28.54 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.719 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -36.52 -37.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.719 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 2.4 tpt180 160.62 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -135.97 -168.39 11.51 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 39.08 -121.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.64 156.02 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.496 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 5.5 m120 -78.45 109.49 10.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.62 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.97 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 36.19 30.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 22.6 mm-40 -116.03 152.91 32.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 122' ' ' PRO . . . -114.73 142.1 46.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.575 HD23 ' CD2' ' A' ' 70' ' ' LEU . 14.3 mt -114.57 117.95 32.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.786 ' CZ3' HG21 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -109.79 115.81 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 107.989 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.663 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 3.9 m -142.28 132.19 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.96 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -111.81 151.63 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.459 ' HE1' ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -111.92 -78.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.24 -11.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.624 ' ND2' ' CG ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -106.91 -13.03 15.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.2 ptmt 46.6 53.92 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.96 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 0.2 OUTLIER -145.78 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 59' ' ' MET . 2.1 m -130.79 152.79 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . -166.54 117.24 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.1 160.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.45 152.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.517 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.02 -40.46 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.82 -28.06 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.459 ' OD1' ' CE2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -55.84 -42.83 76.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -50.04 -56.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.724 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.45 -55.92 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.5 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -50.38 -51.05 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.545 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 13.3 m-30 -81.78 -84.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.622 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -119.62 96.24 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 126' ' ' ASP . 1.7 pp -52.13 -152.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.587 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -76.24 3.83 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.836 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -179.61 81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.524 ' CB ' ' OD2' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -75.04 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.608 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.19 -43.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 20.4 m -106.61 113.12 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.724 ' CG2' ' CZ3' ' A' ' 110' ' ' TRP . 7.2 mm -96.93 110.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.516 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 0.5 OUTLIER -94.0 97.78 10.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -106.83 125.07 50.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.57 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.2 m-30 -99.11 152.44 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.567 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.2 m -104.73 135.68 45.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.708 ' H ' ' CE ' ' A' ' 29' ' ' LYS . 2.7 m120 -139.44 41.09 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 13.8 t70 71.25 160.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.778 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -164.26 -82.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . . . -151.46 -114.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m120 -96.95 96.0 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.778 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp -48.41 -40.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -82.99 -58.61 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.747 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -54.57 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.842 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -39.95 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.708 ' CE ' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -51.84 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.621 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -91.94 -54.27 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.8 mm? -32.91 -42.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.842 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -81.13 -43.79 18.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 2.4 tp -54.06 -46.71 72.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -76.38 -18.52 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.8 tttt -57.98 -2.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -77.2 -62.07 2.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.551 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 74.2 m-20 -153.26 47.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.73 149.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . 7.4 m -137.23 -150.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -145.55 65.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' HG3' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -133.75 -1.34 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.695 ' CE2' ' CG2' ' A' ' 44' ' ' VAL . 1.4 p90 -158.61 163.04 37.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.83 119.04 38.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.695 ' CG2' ' CE2' ' A' ' 42' ' ' PHE . 24.0 t -92.98 134.91 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.685 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -118.13 115.22 24.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.574 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.83 104.49 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.54 138.31 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 9.3 p30 -92.85 118.47 31.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.488 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -167.13 158.15 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 8.4 t80 -87.36 140.37 32.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.56 ' CG ' ' HB3' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 60.12 5.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 54' ' ' ASP . 66.4 p -57.77 141.47 48.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -46.03 -26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -58.74 -60.63 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -83.35 -52.87 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -47.95 -24.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -44.47 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -76.09 -53.8 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.497 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.47 -26.22 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.28 -32.74 50.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -89.11 -44.27 10.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 m -54.62 -64.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 146.05 36.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.8 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.7 mt-30 -84.93 -18.97 32.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.94 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.2 t -44.44 -36.57 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 65' ' ' GLN . 3.6 m -76.3 -40.94 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.48 -58.69 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -50.53 -35.3 28.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 7.5 mmt180 -78.8 -17.96 54.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.78 -39.46 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -63.46 173.36 1.26 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.95 -38.41 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 80' ' ' VAL . 12.6 mmtt -111.39 91.51 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.818 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -72.07 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.607 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.8 p-10 -44.56 -25.37 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -82.68 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.647 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.9 p -74.69 -40.36 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.818 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -55.2 -16.6 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.516 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -108.49 -104.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.724 ' C ' HG22 ' A' ' 86' ' ' THR . 1.1 t80 -141.19 3.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.691 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.53 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.615 ' CD2' HD21 ' A' ' 102' ' ' LEU . 28.8 m-70 -30.4 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.959 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -44.46 -30.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.99 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -37.98 -159.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.99 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 21.01 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -85.46 -41.61 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.75 ' O ' ' O ' ' A' ' 91' ' ' GLY . 14.8 m-85 -103.87 -21.45 13.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.75 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.91 -149.94 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.69 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 1.55 -69.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.698 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -110.35 105.22 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' CB ' ' HB2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -90.14 -51.83 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -48.79 -31.08 6.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -59.94 -25.4 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.684 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 27.8 t -102.85 -48.13 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 90' ' ' PHE . 2.6 t -72.92 -18.4 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.3 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 164.2 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.01 -150.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.615 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 23.92 -96.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.671 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -142.04 152.32 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.955 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.85 102.41 13.37 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.844 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.844 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 25.3 45.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 105' ' ' PRO . 7.3 mt-10 -121.92 151.61 40.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.605 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . . . -109.66 137.77 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.1 mt -109.48 117.49 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.79 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 2.0 t-105 -107.0 120.44 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.553 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 1.0 OUTLIER -143.38 132.49 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.79 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.7 t0 -115.45 141.93 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.607 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 17.2 t90 -117.77 1.63 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.608 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.6 mm-40 -88.73 -46.37 9.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 9.2 m-20 -113.69 16.8 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 4.3 pttt 51.05 40.23 25.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.582 ' HG ' ' CB ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -112.95 121.15 43.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.451 HG23 ' HB ' ' A' ' 111' ' ' VAL . 91.0 t -136.72 166.43 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . 172.88 125.59 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.2 p-10 -62.88 163.37 9.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 80.36 150.24 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.455 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.0 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.498 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -53.64 -24.85 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.442 ' CG ' ' HA3' ' A' ' 119' ' ' GLY . 3.0 t70 -52.85 -49.9 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.593 HG21 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.53 -53.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.793 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -45.79 -50.0 14.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -52.89 -48.52 67.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.548 ' CG ' HD13 ' A' ' 117' ' ' LEU . 78.1 m-85 -86.74 -84.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.593 ' O ' HG21 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -121.48 90.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.843 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -56.71 -159.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.843 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.38 -19.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.679 ' CG ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -122.2 152.46 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.571 ' C ' ' CG ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -74.97 148.71 35.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 2.6 ttt85 -93.02 -51.41 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 m -91.15 114.4 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.9 mm -106.15 113.5 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 0.5 OUTLIER -99.71 102.86 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.611 ' CD1' HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -106.8 131.14 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 53.8 m-85 -102.73 150.11 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.685 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -103.56 140.85 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 5.2 m-80 -145.97 64.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.66 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 15.3 t70 56.15 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.818 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -175.24 -90.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -135.54 -143.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 22' ' ' ALA . 7.0 t -33.55 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.676 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-20 -90.12 96.29 10.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.746 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -33.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.05 -56.63 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.68 -66.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.721 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 40.9 tp60 -41.41 -31.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.818 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.87 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 33' ' ' LEU . 2.8 t -92.38 -50.22 5.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -33.73 -40.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.721 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.9 mm100 -80.83 -42.44 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -56.9 -41.8 78.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -81.6 -16.6 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptm -61.08 -7.24 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -165.93 112.43 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HB3' ' HG2' ' A' ' 131' ' ' GLN . 4.0 t0 174.7 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 37' ' ' ASP . 2.0 t -153.1 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.403 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -101.79 -147.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.532 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -131.96 148.77 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' CG ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -152.33 -43.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.69 ' CD1' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -111.15 177.46 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.47 119.06 33.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 45' ' ' GLU . 72.9 t -89.54 139.15 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.734 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.6 113.57 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -118.06 100.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.56 140.89 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 1.3 p30 -100.15 116.99 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -166.33 155.8 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.681 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.86 110.39 5.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.98 58.77 4.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.649 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.78 165.2 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.584 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -69.28 -22.88 63.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.35 -57.5 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.72 -52.76 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -55.2 -19.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.584 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 tp60 -36.37 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' LEU . 33.8 m-85 -71.03 -51.25 26.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.7 mmt -74.32 -38.26 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -53.33 -22.86 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -86.97 -43.28 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -20.07 62.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -132.75 132.66 22.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.91 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.483 ' CA ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-30 -96.41 14.61 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -56.61 -52.83 47.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.544 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 18.4 Cg_endo -74.98 -51.76 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.652 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 4.2 p -48.49 -30.81 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 1.3 t -69.04 -33.3 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 56' ' ' LEU . 3.5 mt -75.63 -55.51 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.652 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.2 pt20 -59.77 -38.54 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -82.43 -16.91 47.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -65.23 -41.84 94.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -78.44 140.47 60.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HG3' ' HA ' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -74.98 69.47 5.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' SER . 1.3 tttt 170.79 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.801 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.01 -62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 1.8 t70 -43.92 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.494 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -85.3 -61.95 1.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.93 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 9.2 p -83.85 -43.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.801 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.97 -5.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -125.25 -97.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.587 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -168.81 6.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.9 ttpp -53.43 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.617 ' O ' ' CG2' ' A' ' 89' ' ' THR . 22.5 m170 -36.21 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.161 ' O ' ' O ' ' A' ' 87' ' ' ASP . 4.3 t -52.52 -17.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.161 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -29.2 -146.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.159 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.05 21.38 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.7 t -78.88 -50.93 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.807 ' CD1' ' HB3' ' A' ' 97' ' ' CYS . 45.2 m-85 -97.4 -20.31 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.796 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -44.65 -138.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.63 ' HE1' ' CA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -20.46 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.598 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.1 m-20 -115.94 101.53 8.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.639 ' HA ' ' HA ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -88.05 -51.11 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.763 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 3.1 mm100 -54.38 -29.96 50.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 7.7 mmmm -65.56 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.807 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 32.2 t -98.34 -53.05 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -75.45 -12.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.763 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.45 -25.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 98' ' ' VAL . 8.6 ttt180 156.32 -13.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -75.92 -150.51 3.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.534 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 29.78 -96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.669 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -141.5 154.04 45.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.12 106.44 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.722 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -26.9 10.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.807 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.37 32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.7 ' N ' ' O ' ' A' ' 105' ' ' PRO . 5.6 mm-40 -105.21 149.32 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HA ' ' CD ' ' A' ' 29' ' ' LYS . . . -113.37 126.53 55.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 7.5 mt -103.07 138.51 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.644 ' CE2' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.83 143.02 50.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.506 HG12 ' C ' ' A' ' 110' ' ' TRP . 3.2 m -157.34 132.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -114.57 143.3 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.94 0.76 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.5 mm-40 -87.73 -49.15 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -117.17 15.0 14.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 18.9 pttt 51.34 60.55 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.612 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -126.49 117.28 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 111' ' ' VAL . 3.1 m -135.4 162.58 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 128' ' ' TYR . . . 174.15 136.52 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.0 p-10 -80.23 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 83.28 144.21 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.414 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.54 -32.07 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' CG ' ' CE2' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -57.52 -40.47 78.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -52.65 -57.11 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -41.76 -51.01 4.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -58.2 -57.3 13.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.454 ' CE2' ' CG ' ' A' ' 124' ' ' ASP . 12.5 m-85 -69.92 -79.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -136.79 87.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.9 OUTLIER -26.61 -118.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -96.58 -60.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.69 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -71.26 -67.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.674 ' C ' ' CG2' ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.679 ' HG3' ' CE2' ' A' ' 128' ' ' TYR . 18.3 Cg_endo -75.02 -157.01 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.55 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 28.6 mtt180 -143.56 -64.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -91.4 119.56 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 6.0 mm -92.99 110.95 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.4 m -107.49 105.18 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.529 HD23 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -126.87 140.99 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.525 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 18.1 m-30 -106.55 163.25 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.668 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 6.3 m -99.41 144.41 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -144.03 34.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.609 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.0 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.776 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -162.3 -87.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -123.61 -146.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -18.74 -76.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.782 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -94.21 149.12 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.677 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm -79.0 -50.61 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.68 -51.29 6.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.768 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -47.61 -50.75 23.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.782 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 8.7 tp-100 -70.1 -43.08 71.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -37.04 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.658 ' O ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -97.94 -36.15 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.247 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.768 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -43.46 -36.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.706 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 17.4 mm100 -86.38 -31.56 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 1.6 tp -66.33 -48.44 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.693 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -78.21 -17.89 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.35 -19.65 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.75 -83.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' CB ' ' NE2' ' A' ' 131' ' ' GLN . 0.6 OUTLIER -103.53 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 39' ' ' SER . 2.6 t -148.06 164.65 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 132' ' ' ARG . 48.5 t 178.81 -145.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' N ' ' OG ' ' A' ' 39' ' ' SER . 3.2 t60 -158.54 103.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -149.63 -46.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.759 ' CE1' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -143.38 170.4 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.09 130.62 53.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 132' ' ' ARG . 22.0 t -97.63 143.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -107.74 116.6 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.6 mp -115.64 105.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.12 139.24 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -99.95 115.43 29.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -172.44 165.33 5.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -84.26 136.09 40.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' CG ' ' HG ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 69.77 5.45 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -55.92 138.28 48.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.531 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.4 p90 -52.71 -27.22 16.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -50.56 -57.97 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.8 mt-30 -85.83 -50.74 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.564 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.14 -25.65 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.531 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.15 -27.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 31.6 m-85 -73.48 -51.09 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.4 mmt -75.08 -36.48 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -55.24 -22.76 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -87.06 -44.44 11.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 p -47.37 -38.84 13.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -136.28 155.01 77.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.53 5.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 4.0 mt-30 -95.29 11.88 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -54.84 -51.01 56.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.96 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.688 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 3.6 m -48.47 -29.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 4.0 m -61.46 -32.27 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.642 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 3.2 mm? -76.84 -63.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.597 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.3 pt20 -53.95 -44.22 70.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.688 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.505 ' HG3' ' CB ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -68.0 -38.69 82.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -80.32 141.67 53.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 18.5 Cg_endo -74.95 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' CZ3' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 161.45 40.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.791 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.77 -60.44 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' N ' HD23 ' A' ' 81' ' ' LEU . 10.0 t70 -37.18 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -88.14 -58.46 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.666 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.3 p -78.39 -46.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.97 -13.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -109.14 -107.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.693 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -139.32 3.48 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -58.72 -143.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 102' ' ' LEU . 11.2 m-70 -35.79 -25.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.948 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -45.76 -26.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.052 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.6 -156.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.052 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 19.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.552 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.08 -40.85 17.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.71 ' O ' ' HB2' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -104.93 -22.19 13.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.57 -165.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.613 ' CE ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 22.82 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.596 ' H ' ' HG2' ' A' ' 92' ' ' MET . 9.6 m-20 -107.36 106.03 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.683 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -83.07 -32.6 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 11.4 tt0 -47.31 -27.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.1 mmtt -62.75 -27.67 69.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 11.5 m -100.04 -49.2 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 94' ' ' LEU . 25.6 t -62.71 -28.55 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.618 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.2 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' VAL . 16.7 ttt180 161.89 -26.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -70.29 -157.85 2.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.763 ' CD1' ' CE2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 35.39 -98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.771 ' CZ3' ' HG3' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -151.5 144.66 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.493 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 1.2 m-20 -87.39 109.08 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.742 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -74.98 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.742 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 24.04 53.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 105' ' ' PRO . 11.7 mt-10 -145.13 155.45 43.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.09 127.54 55.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -99.43 118.26 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.74 ' CE2' HD13 ' A' ' 129' ' ' ILE . 2.0 t-105 -109.85 140.02 44.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.967 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.578 ' HA ' HG13 ' A' ' 118' ' ' VAL . 4.4 m -152.38 134.74 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.726 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -113.21 137.99 50.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.24 2.98 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.043 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.613 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.4 tp10 -90.72 -53.71 4.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.666 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER -115.71 17.17 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.619 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 2.8 pttm 51.81 58.57 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.71 ' CD2' ' CE2' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -115.07 110.9 20.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.578 HG13 ' HA ' ' A' ' 111' ' ' VAL . 6.4 m -135.95 146.94 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.84 144.41 9.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.8 p-10 -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 158.58 149.99 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.482 ' O ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.95 -33.93 4.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.511 ' O ' ' CD ' ' A' ' 127' ' ' LYS . . . -62.87 -32.26 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -50.34 -34.54 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.62 ' O ' ' C ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -64.26 -57.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.82 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -57.76 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 123' ' ' ALA . 1.1 mptm? -42.67 -50.79 5.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.71 ' CE2' ' CD2' ' A' ' 117' ' ' LEU . 6.3 t80 -100.33 -90.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.74 HD13 ' CE2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -95.54 89.71 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 2.8 pp -48.61 -157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.18 -65.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.55 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -34.53 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.759 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 15.5 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HG3' ' CD2' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.619 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -140.25 -51.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.64 ' CG2' ' CZ2' ' A' ' 113' ' ' TRP . 29.8 m -99.78 111.3 23.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.63 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.9 mm -100.89 115.15 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.9 OUTLIER -97.27 104.35 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -104.6 136.37 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.631 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -103.4 154.32 19.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.635 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -104.73 140.31 38.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.624 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -149.61 63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 53.0 155.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.765 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -168.31 -69.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.739 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -152.0 -127.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.673 ' C ' ' OE1' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -55.24 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 10.5 m120 -84.11 89.14 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.684 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.9 mm -43.27 -29.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.39 -45.26 26.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.81 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 t -65.84 -71.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.896 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -39.53 -34.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.765 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -47.08 -87.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.542 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 45.6 m -95.16 -47.63 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.4 mm? -36.9 -38.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.896 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 6.3 mm100 -78.75 -46.11 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' CD1' ' OE1' ' A' ' 131' ' ' GLN . 5.6 tp -51.8 -43.12 62.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.792 ' HA ' ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -78.86 -20.21 50.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -0.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -94.43 -74.98 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.84 -166.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 39' ' ' SER . 2.8 p -164.24 -145.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 94.62 106.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -46.15 121.96 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HB3' ' C ' ' A' ' 133' ' ' LYS . 2.5 mmt85 -151.1 -99.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.686 ' CZ ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -93.73 174.75 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.07 120.74 39.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.685 ' CG2' ' CE1' ' A' ' 42' ' ' PHE . 33.2 t -87.84 126.73 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.63 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -111.23 115.79 29.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -107.67 109.92 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -135.51 145.99 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.596 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 9.0 p30 -120.55 118.7 30.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.591 ' O ' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -168.31 163.64 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CD1' ' O ' ' A' ' 92' ' ' MET . 0.8 OUTLIER -71.76 114.53 29.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 14.8 p -57.68 146.76 29.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' GLN . 48.8 p90 -55.13 -24.01 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 107.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -45.97 -63.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -88.33 -30.72 19.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.663 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -62.99 -23.7 67.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -45.65 -49.69 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.3 -54.27 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.502 ' CE ' ' CG1' ' A' ' 111' ' ' VAL . 3.9 mmt -65.84 -28.78 69.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.525 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -55.69 -41.91 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -39.25 80.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -84.38 51.39 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.06 145.66 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -35.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -88.83 -18.91 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.71 -99.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 -42.14 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t -45.86 -38.82 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -41.49 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.619 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 2.9 mm? -72.94 -55.38 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 2.4 mm100 -51.0 -32.28 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -78.79 -20.95 48.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.619 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -68.1 -40.04 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.664 HD11 ' CE1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -80.8 163.03 57.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -75.01 144.18 29.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.48 56.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -46.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 4.3 p-10 -40.49 -28.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 1.3 p -77.85 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.621 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 9.3 p -75.68 -32.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.828 ' N ' ' O ' ' A' ' 77' ' ' LEU . 1.1 tm? -59.73 -13.61 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' C ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.77 -103.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.592 ' CA ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -135.67 3.91 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -61.79 -141.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.625 ' CG ' HD12 ' A' ' 102' ' ' LEU . 2.0 m170 -30.53 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.892 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.76 -30.83 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.944 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -40.85 -158.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.944 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.08 26.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.599 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -94.88 -45.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.744 ' CD1' ' HB3' ' A' ' 97' ' ' CYS . 12.1 m-85 -106.83 -28.58 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.534 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -45.41 -101.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.763 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.51 -46.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.3 OUTLIER -128.64 102.34 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.667 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.22 -47.89 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.667 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -67.48 -25.18 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.744 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 47.8 t -98.66 -35.21 10.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.627 HG22 ' CE1' ' A' ' 90' ' ' PHE . 6.3 t -80.69 -26.62 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.76 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 172.35 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -58.25 -165.83 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.625 HD12 ' CG ' ' A' ' 85' ' ' HIS . 1.5 tt 37.64 -95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.613 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -145.99 140.11 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.439 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . 2.7 p30 -85.58 107.64 13.23 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.828 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -14.56 21.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.828 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 31.78 44.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 1.8 mm-40 -116.28 159.46 21.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.541 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . . . -111.89 128.64 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 1.9 mm? -94.15 117.0 29.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CZ3' ' HB2' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -105.65 130.22 53.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.678 HG12 ' CG2' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -157.07 131.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 110' ' ' TRP . 5.1 t70 -128.48 142.3 51.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.64 ' CZ2' ' CG2' ' A' ' 13' ' ' THR . 12.4 p-90 -125.77 18.35 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.619 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -92.02 -46.95 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.617 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.3 m-20 -116.8 21.17 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.617 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 19.6 pttt 54.6 53.33 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.692 ' HG ' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -131.07 141.29 50.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.678 ' CG2' HG12 ' A' ' 111' ' ' VAL . 95.6 t -148.63 169.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.616 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 176.92 151.08 8.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.1 p-10 -93.78 155.16 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER 81.39 156.35 0.12 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -75.02 -41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.92 -26.65 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.63 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -55.84 -49.67 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -49.27 -54.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.679 ' HA ' ' CB ' ' A' ' 130' ' ' ILE . 1.1 t0 -50.85 -46.72 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.82 -55.16 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.505 ' HB3' HD12 ' A' ' 129' ' ' ILE . 20.4 m-30 -87.76 -81.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -119.71 87.34 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.903 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.67 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.903 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -54.8 2.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.69 ' H ' ' C ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -167.37 71.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.497 ' C ' ' HB3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HG3' ' OH ' ' A' ' 128' ' ' TYR . 18.5 Cg_endo -75.0 -158.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.5 -43.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.413 ' OG1' ' OE1' ' A' ' 114' ' ' GLU . 39.4 m -103.28 114.54 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.682 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 6.0 mm -101.97 113.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.95 106.15 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 2.5 mm? -110.99 126.04 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.911 ' CE1' ' O ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -99.69 133.32 44.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.911 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.1 m -91.89 144.6 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' A' ' 105' ' ' PRO . 59.8 t30 -140.91 54.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.792 ' C ' HG13 ' A' ' 21' ' ' ILE . 21.1 t70 64.57 168.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.792 HG13 ' C ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 179.17 -91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -138.93 -135.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 22' ' ' ALA . 53.2 m -33.02 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.711 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -87.18 92.89 9.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.772 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.3 mp -42.84 -36.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.6 -58.42 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.737 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -60.61 -67.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.698 ' C ' HD11 ' A' ' 21' ' ' ILE . 33.0 tp60 -40.05 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.734 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.586 ' CB ' HD11 ' A' ' 34' ' ' LEU . 2.8 m -79.83 -57.09 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 108.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -33.1 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 31.1 mm-40 -79.19 -50.32 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -54.08 -49.51 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.718 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -71.0 -17.19 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.0 tttp -59.89 -6.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.89 -59.8 6.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 63.0 m-20 -159.14 74.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.5 176.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER 177.12 -46.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 162.32 -99.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.662 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.779 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.2 mmp_? 63.94 -64.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.779 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -138.13 175.48 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.65 116.35 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t -91.65 136.23 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.97 113.9 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.632 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.81 101.4 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.65 143.77 39.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 7.7 p30 -104.86 116.59 32.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.809 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -165.87 155.44 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 94' ' ' LEU . 35.7 t80 -73.77 136.26 77.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.05 65.62 6.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.0 p -58.96 143.38 48.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 1.6 m95 -55.1 -27.02 41.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -58.82 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.43 -51.61 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.541 ' HG ' ' CD1' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.04 -23.85 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.546 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -42.54 -26.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.0 m-85 -67.95 -51.93 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.532 ' CG ' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -75.54 -29.81 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CB ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -54.01 -39.87 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.53 -45.97 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -56.85 -46.96 81.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -127.12 139.57 35.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.14 4.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . 1.2 mt-30 -97.06 13.08 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -58.92 -41.49 96.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 65' ' ' GLN . 3.0 p -47.42 -30.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -67.27 -37.01 82.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -76.37 -53.85 7.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 1.2 mt-30 -50.49 -37.79 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -82.01 -17.4 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.616 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -84.71 141.67 38.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.3 Cg_endo -75.01 59.69 5.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 178.21 37.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.857 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -44.3 -61.5 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 6.6 t70 -40.63 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.493 ' N ' ' C ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.07 -58.1 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.932 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 7.7 p -81.15 -43.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.857 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -55.95 -5.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.555 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -127.67 -97.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.582 ' C ' HG21 ' A' ' 86' ' ' THR . 10.7 m-85 -168.94 8.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.732 ' O ' ' N ' ' A' ' 86' ' ' THR . 4.1 ttpp -55.48 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.632 ' O ' ' CG2' ' A' ' 89' ' ' THR . 18.4 m-70 -36.96 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.108 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.3 t -53.44 -16.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.113 ' HB2' ' HD2' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -31.88 -141.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.113 ' HD2' ' HB2' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.07 19.26 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.632 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.1 t -80.0 -49.53 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CD1' ' HB2' ' A' ' 97' ' ' CYS . 8.5 m-85 -102.0 -27.84 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -44.67 174.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.585 ' CE ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 37.01 -78.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.019 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -112.37 102.91 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -83.54 -30.31 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.65 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -45.24 -27.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -66.11 -32.09 73.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.663 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 16.7 m -97.18 -49.88 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG2' ' OD1' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -57.19 -33.37 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.675 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -41.44 -24.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 149.75 -16.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.722 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -56.96 -161.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.563 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER 26.99 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.877 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -140.72 151.19 44.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER -86.98 99.92 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.877 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.06 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.717 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 172.81 32.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 20.3 mm-40 -107.06 149.63 27.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.648 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . . . -128.89 129.23 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.579 ' CD1' ' HD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -122.9 127.86 49.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 3.9 p-90 -101.66 138.46 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' SER . 13.7 m -148.68 115.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.522 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -99.26 150.24 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 7.1 t90 -123.23 6.0 9.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -88.2 -46.25 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.573 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 12.3 m-20 -113.76 19.41 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 9.6 ptpt 53.04 53.87 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.644 HD13 ' CD1' ' A' ' 128' ' ' TYR . 2.0 mt -113.78 139.15 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 59' ' ' MET . 17.1 t -148.32 155.14 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.99 113.51 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 7.7 p-10 -68.85 -175.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER 77.8 146.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 18.2 Cg_endo -75.06 -41.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.24 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.711 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 1.6 t0 -59.2 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -51.19 -51.97 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -49.21 -53.72 20.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 32.9 mmtt -57.67 -55.94 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 129' ' ' ILE . 2.9 t80 -67.88 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.949 HG13 ' CD2' ' A' ' 128' ' ' TYR . 1.2 pp -137.61 92.7 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -54.91 -163.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.784 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -53.72 -50.44 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.691 ' HG3' HD12 ' A' ' 130' ' ' ILE . 2.9 ptp180 -103.2 57.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.712 ' CA ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.06 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.501 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 48.6 mtt-85 -134.96 -68.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -89.79 118.6 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.716 ' CG2' ' CZ3' ' A' ' 110' ' ' TRP . 5.6 mm -98.21 110.94 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.518 ' CB ' HG21 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -100.69 103.36 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.585 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -115.97 146.86 41.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-85 -123.73 150.87 43.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.634 ' OG1' ' HD2' ' A' ' 29' ' ' LYS . 1.2 m -99.07 139.8 34.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.7 t-20 -144.52 64.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.715 ' CB ' ' HD2' ' A' ' 105' ' ' PRO . 9.7 t0 55.73 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.804 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -177.85 -91.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -137.93 -139.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.3 m -31.31 -92.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.676 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 31.2 m120 -82.54 101.44 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.665 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 11.6 mm -47.83 -35.48 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.809 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -82.62 -58.49 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.745 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -57.43 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 46.8 tp60 -39.93 -32.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.809 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -55.18 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.752 ' O ' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -93.71 -53.65 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 108.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.745 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 2.6 mm? -33.35 -42.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.766 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.0 mm100 -81.69 -30.85 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -69.95 -51.38 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.594 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -77.25 -9.93 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -50.94 -14.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -68.34 -77.23 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 131' ' ' GLN . 1.5 m-20 -120.07 173.84 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -178.85 158.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.619 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.7 t 149.28 167.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.1 m80 -37.52 105.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.55 ' HG3' ' HD2' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -158.15 -66.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.686 ' CD2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -162.21 169.07 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -98.15 119.05 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 ' CD2' ' A' ' 34' ' ' LEU . 12.9 t -93.93 126.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -101.19 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.573 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -108.98 105.16 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.63 136.82 33.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 95' ' ' GLN . 0.4 OUTLIER -92.41 117.42 29.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' C ' HD21 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -167.67 161.17 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 10.3 t80 -72.81 133.44 82.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 62.21 5.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.546 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 30.3 p -59.88 128.29 36.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.744 ' O ' ' N ' ' A' ' 57' ' ' GLN . 4.7 m-90 -61.88 -16.69 52.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.82 -56.29 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -42.81 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -66.2 -18.17 65.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' TRP . 20.5 tp60 -39.17 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LEU . 23.1 m-85 -71.09 -52.77 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -76.5 -35.42 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -54.73 -23.95 20.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -86.92 -44.96 11.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -67.74 -19.39 65.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -127.0 132.65 24.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.317 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.87 4.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 69' ' ' SER . 8.8 mt-30 -95.74 12.09 31.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.557 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.88 -47.36 91.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.107 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -75.0 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 4.2 m -48.29 -29.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 6.0 t -67.05 -33.81 76.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 53' ' ' TRP . 1.9 mt -75.52 -52.79 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -38.36 87.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.523 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.9 mmm180 -80.66 -16.32 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -68.87 -40.76 79.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.632 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -74.02 166.6 43.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB2' ' CE3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -74.93 -64.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 59.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.892 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.97 -60.5 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.34 -27.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.516 ' C ' ' HB ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -78.6 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.882 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.5 p -79.03 -30.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.892 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -59.77 -9.37 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -132.35 -88.33 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.617 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 3.2 t80 -173.87 9.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.741 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.25 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.2 m-70 -36.42 -18.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.125 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.4 t -52.47 -15.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.202 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 0.8 OUTLIER -31.12 -143.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.202 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -74.99 18.7 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.3 t -79.49 -49.77 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.646 ' CE1' ' HB3' ' A' ' 97' ' ' CYS . 2.4 m-85 -100.47 -21.45 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.749 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -44.94 -174.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.628 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 28.88 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.628 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.4 m-20 -108.53 102.25 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.637 HD13 ' CE1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.18 -27.32 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.78 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 36.2 tp60 -48.15 -31.17 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 19.2 mmtp -62.1 -35.1 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.0 m -88.3 -26.46 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 100' ' ' ARG . 65.8 t -75.8 -16.22 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.78 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 1.8 mm-40 -46.22 -12.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.77 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 122.91 10.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -90.41 -122.94 2.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.1 OUTLIER 2.31 -79.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.809 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -143.61 165.0 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -103.57 86.16 1.1 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.809 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.99 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -157.76 39.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 4.1 mm-40 -119.79 152.58 37.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.0 142.88 46.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.14 132.62 51.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.753 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 2.7 t-105 -128.77 122.61 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.536 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 34.6 m -140.2 131.02 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.753 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -112.69 133.93 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.69 3.85 25.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.55 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.6 tp10 -91.05 -52.62 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.659 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -116.95 18.24 14.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 51.81 54.79 10.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 2.6 tp -114.58 111.5 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 111' ' ' VAL . 2.8 m -136.75 165.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.42 5.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 9.8 p-10 -83.91 160.7 21.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 86.88 151.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -74.94 -41.06 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.46 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.757 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -53.63 -40.91 66.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.585 HG21 ' HA ' ' A' ' 130' ' ' ILE . 1.4 mt -54.66 -58.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.728 ' HA ' ' CG2' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -47.68 -43.55 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -47.47 -55.73 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.757 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -91.47 -76.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.715 HD11 ' CE2' ' A' ' 110' ' ' TRP . 1.3 pp -119.96 95.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.728 ' CG2' ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -59.92 -158.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.619 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.4 mp0 -53.51 -44.97 69.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 130' ' ' ILE . 6.4 tmm_? -112.19 93.94 4.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.649 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 1.9 tmtp? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' HB3' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 148.67 35.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -120.39 -88.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.747 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 m -90.57 120.66 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.718 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 mm -96.99 121.78 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.8 105.08 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.573 ' CD2' HD13 ' A' ' 125' ' ' ILE . 1.3 mm? -108.08 139.14 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.572 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.4 m-85 -111.8 158.21 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.605 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 1.8 m -106.08 141.0 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.57 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 m-80 -148.78 71.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER 51.15 163.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.764 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 179.99 -98.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.46 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.646 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.5 t 15.68 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.633 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -90.31 98.35 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.725 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.66 -31.05 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.7 -56.96 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 m -55.77 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.723 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 6.1 tp-100 -45.15 -30.95 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.02 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' LEU . 2.9 m -95.12 -50.57 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.0 mm? -34.51 -40.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.723 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 5.5 mm-40 -79.69 -44.86 20.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.6 OUTLIER -52.81 -41.3 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.758 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.63 -23.55 49.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -8.8 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.25 -50.79 3.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HB2' ' CG ' ' A' ' 131' ' ' GLN . 21.6 m-20 -106.42 -100.11 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 1.5 p -176.06 168.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.624 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 87.4 p -128.59 153.99 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.638 ' O ' ' C ' ' A' ' 41' ' ' ARG . 3.6 m170 172.07 -98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.738 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -14.64 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CE2' ' C ' ' A' ' 131' ' ' GLN . 3.5 p90 -106.24 165.72 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.56 132.2 48.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG22 ' CE1' ' A' ' 42' ' ' PHE . 36.5 t -87.88 137.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -104.67 113.07 26.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -112.8 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.75 137.21 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.646 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -103.94 116.84 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -165.56 155.59 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.73 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.32 110.17 6.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.99 60.98 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.73 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.12 145.45 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.719 ' CZ3' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.89 -25.65 65.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -45.84 -59.64 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.538 ' O ' ' HD1' ' A' ' 58' ' ' TYR . 1.2 mt-30 -86.17 -41.17 14.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.697 ' C ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -51.19 -20.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -39.22 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.816 ' CE2' ' CE2' ' A' ' 113' ' ' TRP . 8.1 p90 -71.66 -45.4 62.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.708 ' SD ' ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -76.8 -33.22 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' CB ' HD11 ' A' ' 56' ' ' LEU . 15.9 ttt180 -55.8 -20.08 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -88.75 -45.98 9.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -62.99 -11.76 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -161.48 141.5 7.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -29.63 8.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . 3.6 mt-30 -96.73 11.38 35.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -47.31 -53.17 12.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 -49.03 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -48.96 -31.34 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -67.79 -34.33 76.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 1.6 mt -73.54 -46.8 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.719 ' NE2' ' CZ3' ' A' ' 53' ' ' TRP . 4.3 mm-40 -65.53 -42.85 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -73.95 -18.34 60.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.53 ' HG3' ' CD2' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -64.88 -41.91 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -64.29 173.05 1.63 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.696 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.01 -41.47 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 80' ' ' VAL . 3.6 mtpt -109.46 87.84 2.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.844 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.75 -61.1 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -40.95 -27.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.35 -61.58 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.693 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 7.1 p -79.14 -31.86 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.844 ' N ' ' O ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -57.95 -15.49 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -114.54 -100.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.654 ' C ' ' CG2' ' A' ' 86' ' ' THR . 1.1 t80 -142.7 4.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 tttt -63.42 -139.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.594 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 8.6 m170 -28.56 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.911 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.35 -29.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.997 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.59 -158.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.97 20.69 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.627 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -88.38 -43.93 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.752 ' O ' ' O ' ' A' ' 91' ' ' GLY . 9.4 m-85 -104.59 -20.66 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.35 -140.44 0.0 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.679 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -17.39 -50.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.646 ' N ' ' O ' ' A' ' 91' ' ' GLY . 2.1 m-20 -115.69 104.65 11.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.59 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -91.64 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.738 ' O ' ' N ' ' A' ' 99' ' ' GLN . 60.7 mm-40 -52.87 -27.93 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.605 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 2.1 mmmm -59.44 -29.87 68.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.702 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 42.2 t -104.09 -41.54 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -75.73 -16.12 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 95' ' ' GLN . 1.6 pt20 -35.28 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' VAL . 10.4 tpt180 158.07 -21.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -64.07 -148.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.585 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 29.35 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.696 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -141.63 153.13 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.1 p30 -86.38 108.82 19.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.5 Cg_endo -75.01 -32.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.19 30.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 105' ' ' PRO . 28.9 mt-10 -113.97 153.84 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.589 ' CA ' ' HE2' ' A' ' 29' ' ' LYS . . . -115.26 133.7 55.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -91.58 115.26 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.82 ' CZ2' ' CE2' ' A' ' 128' ' ' TYR . 5.9 p-90 -102.74 119.39 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.504 ' HB ' ' CE ' ' A' ' 59' ' ' MET . 4.0 m -145.41 130.64 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.818 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -122.74 142.17 51.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.816 ' CE2' ' CE2' ' A' ' 58' ' ' TYR . 2.0 m95 -98.14 -95.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.421 ' H ' ' HB2' ' A' ' 113' ' ' TRP . 29.0 mt-10 -46.64 -14.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.818 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -87.75 -4.99 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER 44.43 38.69 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -138.21 123.6 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.64 ' C ' ' CZ2' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -143.84 159.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.572 ' HA3' ' NE1' ' A' ' 110' ' ' TRP . . . 169.97 -167.3 40.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.9 t30 -128.56 163.65 24.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.0 mt-10 91.87 143.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.641 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.57 -39.89 74.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.573 HD13 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.64 -55.44 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.851 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -52.14 -45.95 65.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -50.99 -60.4 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.82 ' CE2' ' CZ2' ' A' ' 110' ' ' TRP . 36.3 m-85 -79.15 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.804 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.4 OUTLIER -132.94 97.46 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.851 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 0.5 OUTLIER -43.65 -125.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.664 ' C ' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -104.9 -24.94 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.738 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -125.85 -7.26 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 129' ' ' ILE . 4.2 tptm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.658 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.04 138.42 22.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.584 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 8.1 mtt180 -111.31 -49.3 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.599 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 31.0 m -123.89 117.92 25.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.678 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 6.4 mm -93.2 108.75 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 19.5 m -102.53 96.19 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.494 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -102.96 143.49 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.648 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 70.8 m-85 -121.11 153.44 37.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.6 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 1.2 m -97.35 141.76 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.547 ' C ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -146.62 74.41 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 21' ' ' ILE . 6.2 t0 67.23 -179.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.925 ' HB ' ' HA ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER 167.15 -76.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' N ' HG23 ' A' ' 21' ' ' ILE . . . 170.45 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 t -66.0 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.647 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.9 m-20 -113.28 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.925 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 2.2 mp -58.84 -41.26 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 0.0 OUTLIER -72.25 -53.62 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.919 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -61.31 -70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 2.7 tt0 -42.71 -40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.791 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -42.36 -82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -98.26 -52.85 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.919 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -32.25 -44.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 12.3 mm-40 -79.0 -44.65 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.93 -44.45 63.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.517 HD11 ' CA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -80.1 -19.24 47.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' GLN . 10.4 tttt -59.04 -12.23 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.12 -90.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' NE2' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -92.71 -161.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 39' ' ' SER . 0.7 OUTLIER -141.84 153.69 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER 173.29 -146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.565 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 0.8 OUTLIER 158.75 117.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -171.44 -36.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.931 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -106.35 171.4 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.37 122.85 47.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.714 ' HB ' ' CZ ' ' A' ' 42' ' ' PHE . 9.6 p -102.18 140.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -123.53 114.33 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.514 HG23 ' CD ' ' A' ' 29' ' ' LYS . 3.0 mp -111.77 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.648 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.82 137.58 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 10.6 p30 -91.78 123.04 34.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.6 mmt-85 -162.38 159.77 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.73 ' CB ' ' HB3' ' A' ' 94' ' ' LEU . 54.0 p90 -80.87 112.7 34.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD2' ' HG ' ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.07 68.13 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.583 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.99 151.08 36.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' GLN . 9.5 p90 -68.45 -23.96 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.03 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -56.69 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.86 -42.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.614 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.53 -23.23 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -42.63 -27.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' LEU . 14.3 m-85 -74.09 -54.98 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.484 ' HG2' ' CG2' ' A' ' 118' ' ' VAL . 1.6 mtt -71.84 -33.42 68.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -50.89 -38.01 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -73.49 -42.59 61.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -86.32 15.09 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.1 t -139.46 135.64 17.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 108.239 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.31 3.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -80.82 -22.74 39.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 60' ' ' ARG . . . 35.45 -119.78 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -34.75 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.555 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -46.81 -30.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -74.74 -45.92 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.614 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.4 mm? -69.16 -48.7 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 13.8 mm-40 -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 5.5 mmt180 -59.48 -21.32 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 2.2 tp-100 -73.07 -38.24 66.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.719 HD12 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -81.95 164.33 49.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.573 ' CG ' ' CB ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.04 131.51 14.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' HD3' ' CB ' ' A' ' 79' ' ' SER . 12.2 tttt 79.44 63.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.44 -62.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.637 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.9 p-10 -44.54 -25.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.4 -61.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.601 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 7.2 p -75.47 -38.91 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.828 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -55.08 -16.13 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' HG22 ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.25 -106.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.657 ' C ' ' CG2' ' A' ' 86' ' ' THR . 5.6 m-85 -135.38 3.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -62.21 -143.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.628 ' CG ' HD13 ' A' ' 102' ' ' LEU . 28.4 m170 -27.84 -32.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.92 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.77 -27.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.92 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -40.18 -157.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.913 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 26.54 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.599 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -94.37 -43.1 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.719 ' CZ ' HD12 ' A' ' 74' ' ' ILE . 13.8 m-85 -105.38 -29.92 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.609 ' C ' ' HE3' ' A' ' 92' ' ' MET . . . -47.38 -105.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.789 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -30.67 -51.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.713 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -127.14 101.32 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.73 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -102.0 -23.02 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.764 ' CB ' ' HG3' ' A' ' 99' ' ' GLN . 0.6 OUTLIER -71.45 -63.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 100' ' ' ARG . 10.2 mmmm -48.94 -21.85 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.65 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -89.57 -54.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 20' ' ' ASP . 29.3 t -77.4 -60.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.764 ' HG3' ' CB ' ' A' ' 95' ' ' GLN . 28.4 mm-40 -45.24 -19.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 176.02 85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . 161.57 171.81 28.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 46.26 -92.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CB ' ' CG ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -142.98 154.77 44.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 107.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.451 ' HB3' ' CG ' ' A' ' 20' ' ' ASP . 6.0 m-20 -101.8 105.67 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.787 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.93 -7.86 19.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.787 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.7 54.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 9.7 mm-40 -139.83 158.56 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.76 136.32 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -91.48 135.77 33.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.674 ' CE3' ' OD1' ' A' ' 112' ' ' ASP . 13.9 p-90 -125.96 118.02 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.4 OUTLIER -134.6 133.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.733 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -129.94 133.31 46.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.64 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER -102.05 -77.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' OE1' ' HB ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -54.5 -0.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.733 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.94 -12.06 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 5.9 ptmt 51.83 36.2 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -135.58 120.78 18.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.602 ' O ' ' CZ2' ' A' ' 110' ' ' TRP . 47.6 t -133.14 168.88 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.613 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 160.22 165.2 16.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.647 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 16.1 p-10 -118.61 114.14 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 148.36 145.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.452 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.98 -30.62 7.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.59 -26.95 67.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.643 ' OD2' ' CD1' ' A' ' 110' ' ' TRP . 56.6 m-20 -56.24 -51.81 66.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -53.31 -54.28 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.746 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 4.7 t70 -51.19 -56.33 13.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -52.83 -51.25 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.781 ' CD2' ' CD1' ' A' ' 129' ' ' ILE . 1.1 t80 -82.16 -87.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -116.12 91.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 129' ' ' ILE . 1.8 pp -41.52 -133.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.694 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.82 -55.93 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.931 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -151.94 116.57 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.54 ' O ' ' CD ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.539 ' HB3' ' HB2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.617 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 7.5 ttt-85 -144.26 -54.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.7 m -93.95 112.7 24.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.778 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.7 mm -100.89 112.81 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.569 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 14.9 t -98.69 100.63 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' HD13 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -103.84 134.41 47.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.663 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 30.5 m-85 -104.01 154.18 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.638 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.8 m -97.3 143.31 28.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.2 m120 -149.25 39.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.627 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 8.5 t0 54.54 154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.821 ' HA ' ' HA ' ' A' ' 106' ' ' LYS . 0.1 OUTLIER -162.71 -41.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' H ' HD13 ' A' ' 21' ' ' ILE . . . -172.8 -133.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ALA . 5.6 t -36.41 -89.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.723 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -81.94 101.19 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.627 ' CG2' ' HA ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -44.45 -46.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -78.62 -63.26 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.811 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -49.24 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.861 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 5.2 tp-100 -40.48 -32.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.821 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -55.81 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.9 t -93.17 -53.19 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' C ' ' A' ' 27' ' ' SER . 2.7 mm? -32.95 -36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.861 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.3 mm100 -82.35 -42.68 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -58.6 -45.73 88.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HB3' ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -75.23 -18.67 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 54.5 tttt -56.77 -12.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -74.35 -92.52 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 22.4 m-20 -78.68 -167.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -165.57 152.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER 170.16 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 41' ' ' ARG . 11.3 p-80 -122.89 -111.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER 76.3 -69.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.5 175.96 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.12 139.12 34.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 46' ' ' ILE . 92.5 t -90.06 142.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.778 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -98.97 116.79 32.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.561 ' CG2' ' NZ ' ' A' ' 29' ' ' LYS . 2.1 mp -117.72 97.91 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -146.7 143.55 28.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.542 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 5.2 p30 -85.49 123.57 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.0 tpt180 -132.85 152.07 51.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.733 ' HA ' ' CB ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.86 141.2 54.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.01 59.28 5.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.591 HG23 ' CD1' ' A' ' 50' ' ' PHE . 52.8 p -100.83 128.37 46.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.614 ' O ' ' N ' ' A' ' 57' ' ' GLN . 21.9 p90 -71.84 -19.79 61.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 37.1 t0 -50.65 -57.46 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -82.18 -51.02 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.672 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -61.03 -13.85 19.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 53' ' ' TRP . 5.5 tt0 -36.68 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.9 t80 -64.81 -56.15 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.594 ' HE3' ' CE2' ' A' ' 113' ' ' TRP . 3.6 mmt -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CG ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -58.97 -39.98 83.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.432 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -65.77 -44.96 84.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 p -87.63 43.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -175.28 138.68 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 108.319 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -92.26 11.02 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.632 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -12.39 -94.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 18.4 Cg_endo -74.98 -28.37 9.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 14.0 t -43.98 -52.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 21.4 m -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HB3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -70.81 -53.41 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -65.43 -54.84 22.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -55.14 -22.62 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 69' ' ' SER . 2.8 mm100 -69.61 -42.03 74.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -66.81 169.89 7.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.609 ' N ' HG21 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 21.9 mmtt -89.01 56.45 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.51 -63.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.622 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 9.6 t70 -39.49 -28.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -82.08 -59.08 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.675 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 5.2 p -75.81 -24.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.883 ' N ' ' O ' ' A' ' 77' ' ' LEU . 5.3 tp -63.39 4.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -140.4 -102.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.68 ' C ' ' CG2' ' A' ' 86' ' ' THR . 92.1 m-85 -136.21 1.12 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.95 -139.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' CE1' ' HE3' ' A' ' 84' ' ' LYS . 34.7 m170 -31.05 -31.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.916 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.38 -29.14 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.916 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -38.74 -160.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.99 25.04 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -96.34 -42.19 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -105.53 -28.78 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.693 ' C ' ' HE3' ' A' ' 92' ' ' MET . . . -49.65 -116.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.718 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -25.35 -48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.634 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -122.18 101.84 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.733 ' CB ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.43 -56.18 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.572 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -55.54 -29.38 58.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 15.1 mmmt -61.84 -28.48 69.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.685 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.2 m -96.47 -47.09 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.564 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 2.7 t -63.01 -33.09 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.645 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.31 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 152.55 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -54.45 -107.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -28.7 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.679 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -143.59 158.36 43.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.6 p-10 -105.25 91.48 4.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.821 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -150.06 59.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -141.18 150.18 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.53 126.26 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.37 128.67 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ3' ' CE2' ' A' ' 128' ' ' TYR . 18.5 p-90 -106.41 142.34 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' SER . 0.5 OUTLIER -158.46 127.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.573 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -128.95 140.62 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.594 ' CE2' ' HE3' ' A' ' 59' ' ' MET . 0.4 OUTLIER -115.37 12.51 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.617 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -91.43 -46.65 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -113.14 20.1 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 53.12 41.81 32.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.682 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -109.73 130.36 55.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.691 ' N ' ' CH2' ' A' ' 110' ' ' TRP . 24.5 t -144.26 150.82 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 174.6 -162.0 31.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 73' ' ' GLN . 10.9 p-10 -137.45 -175.6 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 2.2 tt0 77.94 142.02 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.91 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.439 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -67.6 -27.66 67.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.734 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -54.72 -47.2 74.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 129' ' ' ILE . 6.5 mt -50.75 -53.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 2.3 t0 -50.45 -54.27 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.41 -55.83 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.878 ' CG ' HG13 ' A' ' 129' ' ' ILE . 1.4 t80 -66.39 -79.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.878 HG13 ' CG ' ' A' ' 128' ' ' TYR . 1.1 pp -144.17 85.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.924 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -43.15 169.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.924 ' N ' HG12 ' A' ' 130' ' ' ILE . 5.8 pt20 -36.71 -45.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.705 ' CG ' ' N ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -73.82 -60.62 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.705 ' N ' ' CG ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' CA ' ' HB3' ' A' ' 114' ' ' GLU . 18.3 Cg_endo -75.01 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -146.74 -41.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 m -109.11 117.08 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.669 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.0 mm -99.31 114.2 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' HG21 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.22 99.73 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.621 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 3.4 tp -118.94 124.7 47.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.3 m-30 -96.73 153.29 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.558 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -105.81 144.09 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.525 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -141.35 71.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.782 ' C ' HG13 ' A' ' 21' ' ' ILE . 10.3 t70 50.12 170.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.782 HG13 ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -179.54 -97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -131.27 -144.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.6 t -24.1 -84.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.731 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -89.43 94.83 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.725 ' O ' HD13 ' A' ' 21' ' ' ILE . 1.3 mp -42.33 -36.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 0.0 OUTLIER -85.43 -60.61 1.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.731 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -54.41 -68.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.77 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 36.2 tp60 -43.51 -26.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.697 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -57.4 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.621 ' SG ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -95.27 -50.97 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 108.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.699 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.1 mm? -36.61 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.77 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 21.5 mm-40 -79.83 -49.46 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 34' ' ' LEU . 3.5 tp -59.28 -48.87 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.75 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -74.49 -12.94 60.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -55.01 -11.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -60.85 -100.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -91.98 -173.66 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 1.0 OUTLIER 171.99 157.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.2 p 156.19 171.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -36.79 131.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.574 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.761 ' CG ' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tpm_? 175.0 -144.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.761 ' CE1' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -93.24 173.82 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.6 129.71 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' HB ' ' HE3' ' A' ' 133' ' ' LYS . 0.7 OUTLIER -95.47 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -109.52 116.13 31.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.525 ' CD1' HD21 ' A' ' 16' ' ' LEU . 6.0 mm -113.97 101.39 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -142.8 141.27 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -106.59 119.81 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 ptt180 -163.8 158.85 20.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.662 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.2 OUTLIER -68.44 110.44 5.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -75.0 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.662 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -58.54 155.31 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -60.15 -24.05 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -62.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.6 -36.61 20.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.554 ' CD2' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -62.65 -18.02 61.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.7 m-85 -62.71 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.554 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -78.28 -31.33 48.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.515 ' CB ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.07 -28.5 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -89.48 -46.58 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 m -61.96 -27.58 68.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -130.93 141.7 42.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 27.1 tt0 -96.95 10.9 37.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -46.7 -50.99 13.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.04 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.472 ' HB ' ' CG ' ' A' ' 65' ' ' GLN . 3.2 t -48.56 -31.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -62.02 -32.0 72.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' ' HG ' ' A' ' 56' ' ' LEU . 1.1 mm? -75.83 -52.47 10.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 1.6 mt-30 -57.49 -39.09 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HA ' ' CG ' ' A' ' 77' ' ' LEU . 1.4 mmm180 -82.16 -20.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -74.49 -40.4 61.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.234 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.641 HD12 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.3 165.82 47.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.93 177.7 8.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HB3' ' CB ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 39.31 62.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.54 -25.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -77.55 -59.55 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.994 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.81 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 6.4 p -82.93 -33.14 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.842 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -54.54 -5.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -127.4 -92.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.573 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -165.84 13.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.722 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.56 -150.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.658 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.2 m80 -35.57 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.064 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -51.11 -18.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.113 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -34.15 -143.49 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.113 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 19.37 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -79.11 -49.07 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.738 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.3 m-85 -97.07 -19.87 18.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.738 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.9 -147.34 0.0 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.671 ' C ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -4.47 -65.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER -110.41 106.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.594 ' HB3' ' CA ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -90.11 -54.05 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.643 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -50.33 -25.69 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.1 mmmm -66.58 -28.08 68.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.721 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -100.33 -41.31 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -73.52 -25.23 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.643 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.41 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 163.22 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LEU . . . -46.08 -96.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -35.26 -92.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.661 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -149.37 155.8 41.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 108.028 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 2.1 p-10 -95.64 102.43 10.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.718 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -9.71 20.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.815 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.04 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -104.79 151.69 23.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . . . -115.04 129.62 56.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 20.3 mt -103.55 114.03 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.72 ' CZ2' ' CG ' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -110.27 131.95 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 18.8 m -156.48 127.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' LEU . 4.4 m-20 -105.9 144.33 32.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 2.2 t90 -116.75 4.84 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.592 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 3.5 mm-40 -90.64 -44.75 9.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -114.15 19.24 16.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.26 50.16 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 128' ' ' TYR . 1.9 mt -108.53 142.56 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' LEU . 3.2 t -150.02 143.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . -178.24 128.72 1.31 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.8 p-10 -87.75 175.85 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 83.55 144.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.472 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.99 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.25 -28.94 70.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 2.7 t0 -62.77 -38.51 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.44 -58.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.743 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 3.8 t0 -48.51 -54.19 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 14.1 mmtp -50.77 -49.63 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.72 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 m-85 -86.78 -90.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -110.77 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.845 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -75.16 -169.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.845 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.33 -50.83 28.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.688 ' HG2' ' CD1' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -46.16 -21.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.661 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 133' ' ' LYS . 2.5 pm0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 14' ' ' ILE . 18.2 Cg_endo -75.01 131.56 14.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.453 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 4.7 ttp180 -71.16 -29.44 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.4 m -123.95 115.79 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.783 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm -100.88 125.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.06 98.54 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.668 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -109.6 128.33 55.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.54 ' HB2' ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -97.84 154.44 17.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.671 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 95.2 m -102.1 140.01 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -136.94 43.04 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.664 ' O ' ' HA ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 52.63 158.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.762 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -156.43 -81.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -129.13 -137.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ALA . 36.8 m -38.21 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.718 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.0 m120 -83.67 103.89 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.762 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp -59.4 -42.27 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -76.55 -50.48 13.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.881 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.93 -69.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.858 ' O ' ' CG ' ' A' ' 32' ' ' GLN . 12.3 tp-100 -40.33 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.715 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -54.55 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.601 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.9 t -89.75 -46.44 8.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.881 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.2 mm? -37.73 -40.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.858 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 2.9 pp0? -69.08 -42.85 75.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -59.42 -55.23 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.679 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.31 -14.92 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -56.47 -8.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -78.61 -57.77 3.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -133.2 176.01 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -176.63 150.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.1 m 156.26 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 6.3 m-70 40.83 -137.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 5.5 tpm_? 90.3 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CD2' HG12 ' A' ' 14' ' ' ILE . 28.3 p90 -92.16 173.75 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.66 125.98 44.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 42' ' ' PHE . 16.7 t -89.99 139.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.783 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -100.92 111.38 23.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.54 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 2.5 mp -116.96 95.76 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -141.96 137.64 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.671 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -96.44 117.08 30.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -166.19 154.35 10.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.677 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 13.9 t80 -73.71 136.86 77.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.605 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.95 60.19 5.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.9 p -57.26 142.93 41.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.662 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -71.27 -22.49 61.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.61 -59.05 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.31 -38.65 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.18 -18.1 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -40.65 -27.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 56' ' ' LEU . 9.8 m-85 -67.5 -55.24 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.506 ' CE ' HG13 ' A' ' 111' ' ' VAL . 1.5 mtt -76.39 -34.47 58.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -53.81 -26.19 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.87 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -59.19 -38.33 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.2 m -124.41 142.38 40.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.581 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 11.2 mt-30 -81.5 14.34 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -28.36 -92.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 Cg_endo -74.89 -30.69 7.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -45.8 -40.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -33.1 54.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 51' ' ' PRO . 2.0 mt -75.33 -58.83 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.4 mt-30 -54.36 -31.58 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -79.76 -19.45 48.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HG2' ' CD2' ' A' ' 109' ' ' LEU . 2.8 tp60 -65.07 -38.92 92.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.552 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -81.71 140.08 47.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.502 ' O ' ' CE3' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 50.4 2.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' CD ' ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -165.89 28.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -43.78 -63.37 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' N ' HD21 ' A' ' 81' ' ' LEU . 22.7 t70 -40.18 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.551 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -88.12 -59.34 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.616 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.9 p -79.06 -46.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.73 -13.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.93 -105.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.517 ' O ' ' O ' ' A' ' 84' ' ' LYS . 2.1 t80 -141.16 -6.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -57.9 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.628 ' CG ' ' CD1' ' A' ' 102' ' ' LEU . 4.6 m-70 -29.7 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.934 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -48.54 -29.89 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.934 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -38.41 -160.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.96 23.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.633 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -88.67 -44.56 10.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.687 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -109.69 -23.9 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.687 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -38.12 -111.37 0.0 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.741 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -19.05 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.741 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.7 OUTLIER -110.53 106.56 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.662 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -66.05 -19.21 65.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.617 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 11.1 tm0? -64.09 -30.72 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 50.2 mmtt -67.46 -20.85 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.641 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.8 t -96.94 -47.83 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.562 HG13 ' HG ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -72.95 -22.4 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.638 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -37.3 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.6 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER 152.5 54.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.03 -159.76 9.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.628 ' CD1' ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 40.26 -126.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.749 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 14.2 m0 -110.25 158.07 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 66.7 m-80 -73.83 105.17 1.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.833 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.3 Cg_endo -74.95 -24.46 12.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.695 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 5.71 57.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.833 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.8 mm-40 -139.53 152.58 47.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.54 ' CB ' ' HB2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -93.76 124.15 37.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 1.7 t90 -103.82 129.91 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.542 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 1.1 t -158.85 131.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.608 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.3 t70 -124.56 148.66 47.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.424 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.6 t90 -132.52 7.44 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.1 tm-20 -90.3 -45.28 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -112.67 3.58 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.778 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.7 tttt 69.52 63.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.477 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -131.97 155.56 47.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 111' ' ' VAL . 9.7 m -153.93 165.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 171.21 -163.72 36.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -145.76 167.93 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.28 146.55 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.497 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.93 -24.68 67.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -55.05 -40.03 69.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.583 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER -49.77 -52.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.641 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -50.76 -50.98 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -57.15 -59.52 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.527 ' CB ' HD11 ' A' ' 129' ' ' ILE . 20.3 m-85 -66.29 -74.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.675 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.1 OUTLIER -146.75 83.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.925 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -35.66 168.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.925 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.39 -19.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.62 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -146.25 90.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.523 ' HB3' ' CG2' ' A' ' 129' ' ' ILE . 3.6 pttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.671 ' CB ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 151.1 39.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 40.4 mtt180 -118.3 -50.95 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 22.9 m -105.86 113.81 27.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.712 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 4.1 mm -100.06 114.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -99.09 105.32 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.785 HD22 ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -112.63 147.2 37.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 45.9 m-85 -122.14 152.23 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.619 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 2.3 m -100.77 140.27 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.0 t30 -140.47 61.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.649 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 50.87 160.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.773 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -170.29 -82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -151.0 -138.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 22' ' ' ALA . 12.8 t -33.53 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.2 m120 -98.2 97.72 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.705 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.6 mp -57.29 -37.51 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.32 -52.4 7.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -62.99 -64.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.986 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 4.1 tt0 -41.94 -32.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.773 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.04 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.5 t -96.67 -51.23 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 108.256 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 27' ' ' SER . 2.3 mm? -35.86 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.986 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -78.99 -50.22 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 33' ' ' LEU . 2.9 tp -52.8 -43.32 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.768 ' HA ' ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -80.46 -15.77 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.371 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 7.8 tttt -57.06 -9.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -88.13 -67.64 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -138.13 102.99 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 p -143.12 171.34 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 169.93 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -141.81 134.24 28.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CD ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 166.17 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.752 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -155.33 166.69 32.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.67 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -100.95 127.34 54.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -106.52 112.32 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.6 mp -110.21 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.89 139.68 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.619 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.8 p30 -101.58 121.57 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.571 ' O ' HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -163.75 158.47 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.781 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -70.22 120.68 79.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 48.53 2.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.7 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -60.83 166.63 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.545 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 1.0 OUTLIER -61.31 -26.06 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -49.87 -58.27 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -33.61 21.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.577 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.91 -25.71 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.545 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 18.8 pt20 -42.5 -43.53 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 19.8 m-85 -63.44 -49.28 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.42 -28.68 63.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.78 -34.33 71.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 1.2 p -77.84 -46.41 21.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 55.0 p -83.53 42.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 155.98 129.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.16 3.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 36.8 tt0 -97.55 12.09 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -49.97 -49.87 34.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.02 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.559 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 18.0 t -49.14 -31.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.526 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 67.7 m -67.07 -33.64 75.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.567 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 1.1 mt -72.98 -56.85 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.7 pt20 -61.25 -33.57 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.17 -16.59 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -69.35 -38.44 78.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.577 HD12 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.67 168.09 31.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.53 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -70.18 57.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.773 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.97 -64.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.638 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 2.0 t70 -45.79 -24.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -81.95 -58.98 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.943 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.574 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 12.5 p -75.87 -44.32 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -51.98 -15.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.458 ' C ' HG23 ' A' ' 86' ' ' THR . 8.6 tptt -110.69 -108.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.628 ' C ' ' CG2' ' A' ' 86' ' ' THR . 17.2 m-85 -134.89 1.17 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.744 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -64.14 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.653 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 19.6 m-70 -25.13 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.647 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.888 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.17 -28.87 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.047 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -40.6 -156.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.047 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 17.52 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -87.53 -41.55 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.676 ' O ' ' O ' ' A' ' 91' ' ' GLY . 1.4 m-85 -104.55 -17.22 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -49.0 -149.99 0.0 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.714 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 5.0 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.714 ' H ' ' HG2' ' A' ' 92' ' ' MET . 5.0 m-20 -111.96 101.02 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.686 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -87.42 -45.7 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.641 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -55.21 -26.85 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -68.37 -28.64 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.17 -40.26 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.661 ' CG2' ' CE1' ' A' ' 90' ' ' PHE . 1.3 t -74.89 -30.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.641 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.43 -39.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 178.16 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -51.21 -94.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.653 ' CD1' ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -34.3 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.548 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 4.1 m95 -144.12 159.64 42.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.406 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 2.8 m-80 -106.91 95.88 13.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.792 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -12.9 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.792 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 32.91 41.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 33.6 mm-40 -119.69 155.37 32.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.81 126.27 55.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 6.2 mt -93.58 133.68 36.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.785 ' CD1' HD22 ' A' ' 16' ' ' LEU . 9.5 t90 -123.61 130.79 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.621 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.3 m -154.4 126.03 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.801 ' OD2' ' HB2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -114.35 157.78 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.52 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.6 t90 -133.26 -54.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 13' ' ' THR . 4.4 mm-40 -58.63 -16.36 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.801 ' HB2' ' OD2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -116.29 1.17 13.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.3 51.31 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.747 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -130.61 146.94 52.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.553 ' CG2' ' HG3' ' A' ' 59' ' ' MET . 44.8 t -149.42 158.12 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 155.69 126.83 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.584 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.2 m120 -98.97 120.45 39.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.7 mt-10 153.76 151.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.452 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.99 -31.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.98 -24.45 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 128' ' ' TYR . 95.3 m-20 -52.96 -50.59 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.684 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -50.83 -58.23 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 1.2 t70 -45.08 -53.63 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.51 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 124' ' ' ASP . 9.6 m-30 -57.0 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.789 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -144.61 83.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.879 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -30.68 166.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.879 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -50.18 4.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.785 ' H ' ' C ' ' A' ' 130' ' ' ILE . 0.1 OUTLIER -174.63 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 132' ' ' ARG . 10.7 tttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.655 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 18.5 Cg_endo -74.95 125.02 9.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' N ' ' CG ' ' A' ' 115' ' ' ASN . 8.9 mtt-85 -102.63 -81.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 115' ' ' ASN . 15.6 m -82.64 120.5 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.63 HG13 ' CD2' ' A' ' 42' ' ' PHE . 1.5 mm -100.86 121.22 51.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -111.16 99.66 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.593 ' CD1' HD12 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.41 139.49 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.572 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 81.5 m-85 -111.84 150.66 30.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.589 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 1.8 m -97.27 136.0 38.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 2.6 m120 -142.02 34.27 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.692 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 63.13 159.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.773 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -158.83 -74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 28' ' ' GLN . . . -136.18 -130.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -39.07 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.698 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.7 m-20 -85.72 104.77 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.692 ' CG2' ' HA ' ' A' ' 20' ' ' ASP . 1.7 mp -52.61 -39.03 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.811 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 6.3 mmtp -81.31 -55.44 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.916 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -58.68 -65.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.715 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 63.4 tp60 -44.45 -34.55 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 2.5 tptm -45.32 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -100.23 -43.32 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.916 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -38.49 -42.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.669 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 34.9 mm-40 -80.48 -43.31 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.71 -47.38 67.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -73.34 -20.43 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -66.11 1.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -63.17 -115.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.698 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 5.3 t0 -64.87 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 p -153.57 167.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.625 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 80.3 p -157.99 157.26 32.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.4 m170 158.65 63.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -162.27 -53.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.049 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -93.78 168.17 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG12 ' A' ' 14' ' ' ILE . 1.6 m-20 -106.14 113.01 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 42' ' ' PHE . 4.5 p -95.53 125.34 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.1 mm-40 -104.1 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.648 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -109.73 103.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.62 134.22 23.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.589 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 2.1 p30 -90.09 120.52 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' HD23 ' A' ' 94' ' ' LEU . 2.6 tpp180 -162.49 156.68 21.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.809 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.07 124.81 91.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' CG ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.03 47.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.712 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -61.43 155.23 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.516 ' CZ3' ' CB ' ' A' ' 67' ' ' PRO . 57.2 m95 -55.08 -26.95 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -49.83 -59.47 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -44.12 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.525 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.63 -26.36 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.2 mt-30 -44.05 -31.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.633 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -71.73 -50.21 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -73.86 -30.76 62.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.5 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.47 -26.65 63.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.243 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -81.33 -45.19 16.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 p -66.44 -8.5 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -171.9 137.38 0.97 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.92 -21.62 15.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -94.3 7.32 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.705 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -64.45 -37.78 94.9 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.519 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -50.72 -28.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -56.55 -45.89 80.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.43 -54.46 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' O ' HD11 ' A' ' 77' ' ' LEU . 2.1 mt-30 -49.49 -40.73 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' CD ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.48 -18.8 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 109' ' ' LEU . 2.3 tm0? -64.21 -31.73 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.93 163.25 49.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.495 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.05 -42.9 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HB3' ' OG ' ' A' ' 79' ' ' SER . 3.6 mmtt -86.88 67.71 9.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.878 ' O ' ' N ' ' A' ' 81' ' ' LEU . 4.0 tp -61.9 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 82' ' ' LYS . 9.6 p-10 -42.16 -28.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 51.1 m -73.82 -64.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.596 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 12.5 p -79.63 -30.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.878 ' N ' ' O ' ' A' ' 77' ' ' LEU . 12.8 tp -60.57 -9.12 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -126.38 -100.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.4 t80 -144.24 -5.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.85 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.17 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.561 ' CD2' HD21 ' A' ' 102' ' ' LEU . 59.8 m-70 -27.71 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.965 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -47.59 -26.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.988 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -37.73 -158.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.988 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 19.67 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.571 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -82.53 -45.53 14.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.6 ' O ' ' O ' ' A' ' 91' ' ' GLY . 23.0 m-85 -106.38 -17.26 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.15 -163.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.66 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 18.4 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.66 ' H ' ' HG2' ' A' ' 92' ' ' MET . 12.7 m-20 -106.46 104.38 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' HB3' ' CA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.68 -34.4 52.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.762 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 3.3 tt0 -44.36 -42.38 6.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.514 ' HA ' ' HG3' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -47.24 -34.67 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 89' ' ' THR . 4.8 m -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.514 ' CG2' ' HG ' ' A' ' 94' ' ' LEU . 19.3 t -73.11 -24.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.766 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -52.21 -10.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.766 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.0 OUTLIER 122.79 2.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.242 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.3 -111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -30.79 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.669 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -149.82 154.67 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 107.973 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.559 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 17.0 m120 -82.99 106.32 6.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.812 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.4 Cg_endo -75.0 3.4 5.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.852 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 3.6 60.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.812 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.5 mm-40 -138.16 155.71 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -115.97 127.93 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 70' ' ' LEU . 5.3 mt -105.97 124.23 49.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.632 ' CZ3' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -124.98 122.13 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 m -145.19 130.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.597 ' CB ' ' HB2' ' A' ' 115' ' ' ASN . 11.7 m-20 -121.51 138.97 54.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.633 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.4 t90 -101.79 -65.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -5.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.936 ' N ' HD21 ' A' ' 115' ' ' ASN . 0.4 OUTLIER -103.33 -13.43 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 58.82 25.01 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.632 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 3.5 pp -133.49 142.04 48.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.624 ' HA ' ' CZ3' ' A' ' 110' ' ' TRP . 83.5 t -145.93 163.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 165.23 132.0 1.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 15.1 p-10 -85.19 172.67 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 86.63 147.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.07 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -63.69 -28.9 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.53 -45.17 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -48.96 -54.76 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.817 ' O ' HG23 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -45.0 -51.78 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.541 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.15 -53.01 56.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 110' ' ' TRP . 11.5 m-85 -82.27 -89.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.697 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.1 OUTLIER -118.25 87.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.958 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.44 -157.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.958 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.1 mp0 -44.64 -16.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 1.049 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.56 20.15 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 1.2 ttt85 -104.05 -56.07 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -93.2 114.73 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.691 ' CG2' ' NE1' ' A' ' 110' ' ' TRP . 12.3 mm -99.31 113.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -102.69 100.52 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -126.89 131.03 51.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 58.1 m-85 -98.0 158.19 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 29' ' ' LYS . 1.3 m -109.74 145.21 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.563 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.4 t30 -134.23 51.02 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.578 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 10.7 t70 50.86 164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.917 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -158.66 -79.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . -146.34 -99.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -56.23 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.658 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -75.94 97.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.687 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.1 mm -39.62 -46.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.67 -61.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.841 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.37 -66.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.011 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.722 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 36.2 tp60 -37.94 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.917 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.26 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.604 ' O ' ' N ' ' A' ' 33' ' ' LEU . 2.0 m -78.51 -56.84 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.841 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -33.75 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.6 mm100 -77.31 -48.01 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 30' ' ' CYS . 2.0 tp -57.51 -56.16 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -66.52 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -60.36 -14.48 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 131' ' ' GLN . 1.2 m-20 -102.53 -87.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -164.35 171.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.607 ' HA ' ' CA ' ' A' ' 132' ' ' ARG . 85.4 p -129.93 171.56 12.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 171.14 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.592 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.658 ' C ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -13.17 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.678 ' CD2' ' O ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -89.85 165.37 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.32 122.82 46.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 23.5 t -92.73 128.24 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -97.53 116.39 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.647 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.1 mp -106.83 105.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -143.23 138.83 29.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.543 ' HA ' ' H ' ' A' ' 18' ' ' THR . 6.3 p30 -101.26 123.25 45.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -157.74 162.82 38.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CD1' ' O ' ' A' ' 92' ' ' MET . 27.0 p90 -72.67 111.86 12.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 61.28 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 38.7 p -80.92 167.24 20.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 5.7 p90 -59.44 -26.88 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -58.37 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -84.05 -52.27 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.588 ' CD1' ' HB2' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -51.53 -27.25 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 3.6 tp60 -36.29 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.3 m-85 -64.49 -54.79 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.481 ' SD ' ' CG2' ' A' ' 118' ' ' VAL . 3.4 mmt -78.51 -26.45 45.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 3.5 ttt180 -51.5 -34.04 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -46.48 9.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -62.92 -13.95 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.92 134.94 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.532 1.807 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -91.33 12.78 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.565 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.66 -47.25 92.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.595 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 1.9 m -48.99 -27.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -72.23 -35.0 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 6.2 mt -73.69 -58.51 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.0 pt20 -54.23 -36.68 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 1.1 mmm-85 -79.73 -17.8 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.497 ' HG2' ' CD2' ' A' ' 109' ' ' LEU . 0.7 OUTLIER -67.73 -40.41 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.14 141.0 57.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.52 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.01 57.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CD ' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -176.45 34.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.859 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -44.33 -62.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' N ' HD23 ' A' ' 81' ' ' LEU . 20.5 t70 -40.13 -27.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.528 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -86.64 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.959 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.8 p -80.39 -42.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.859 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.21 -6.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -125.47 -86.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.595 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER 179.36 5.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -53.12 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.611 ' O ' ' CG2' ' A' ' 89' ' ' THR . 9.1 m-70 -37.25 -17.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 1.119 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.2 t -51.69 -16.33 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.162 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.0 OUTLIER -31.54 -145.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 1.162 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.01 25.68 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.4 t -88.57 -49.88 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 97' ' ' CYS . 0.3 OUTLIER -102.21 -22.69 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.39 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.825 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -14.98 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 111.009 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m-20 -119.94 98.54 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.643 ' CD2' ' CG2' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -85.41 -32.26 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -68.87 -57.77 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 100' ' ' ARG . 36.2 mmtt -44.48 -27.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.1 m -92.11 -39.05 11.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.643 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 2.1 t -76.14 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 95' ' ' GLN . 10.3 mt-30 -51.64 -21.83 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 96' ' ' LYS . 1.3 tmt_? 177.6 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.598 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -178.08 -128.82 1.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.598 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -23.42 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.95 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 7.0 t90 -143.78 160.19 41.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -93.56 94.08 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.95 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -75.03 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.774 ' HG3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -165.86 39.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 9.6 mt-10 -122.04 156.46 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . . . -134.32 148.9 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.595 ' CD1' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -113.74 119.34 37.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ2' ' CD1' ' A' ' 129' ' ' ILE . 8.6 t90 -105.66 135.25 47.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.53 ' O ' ' O ' ' A' ' 15' ' ' SER . 18.1 m -157.86 127.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.69 149.62 27.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.408 ' CD1' ' HD2' ' A' ' 58' ' ' TYR . 1.6 t90 -121.04 1.41 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.5 mm-40 -87.86 -45.2 10.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.594 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 3.7 m-20 -111.19 17.56 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 52.93 52.05 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 128' ' ' TYR . 1.7 mt -111.6 145.52 39.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.481 ' CG2' ' SD ' ' A' ' 59' ' ' MET . 53.5 t -150.58 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . -163.64 162.75 35.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.406 ' HB3' ' OG ' ' A' ' 69' ' ' SER . 3.3 p30 -118.91 160.44 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 2.7 mt-10 70.25 166.21 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.543 ' O ' HD23 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -41.37 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.31 -28.19 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.633 ' OD1' ' CD1' ' A' ' 128' ' ' TYR . 2.7 t0 -59.58 -48.14 82.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.743 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -50.22 -56.95 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.579 ' HA ' ' CG2' ' A' ' 130' ' ' ILE . 2.4 t0 -45.65 -56.69 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 16.0 mmtp -57.37 -55.65 32.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.638 ' HB3' ' CD1' ' A' ' 129' ' ' ILE . 2.9 m-85 -70.19 -84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.844 ' CD1' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -129.91 95.48 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.791 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.6 OUTLIER -39.95 -116.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 1.7 mp0 -106.66 -37.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.656 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.1 ptp85 -99.05 -26.13 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.678 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HG3' ' CD2' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.552 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 8.0 mtt-85 -135.04 -45.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.677 ' CG2' ' CZ2' ' A' ' 113' ' ' TRP . 7.1 m -109.3 117.79 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.669 ' CG2' ' NE1' ' A' ' 110' ' ' TRP . 3.3 mm -92.7 110.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -106.77 102.24 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.592 ' CG ' ' HE2' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -129.18 128.45 43.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.667 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 4.7 m-30 -97.17 154.12 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.595 ' OG1' ' HD2' ' A' ' 29' ' ' LYS . 37.1 m -101.82 150.98 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.807 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 m120 -146.72 54.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.807 ' O ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER 44.72 154.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.894 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -153.78 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -154.87 -130.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.0 t -30.24 -92.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.688 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -82.44 98.28 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.711 ' O ' HD11 ' A' ' 21' ' ' ILE . 5.9 mm -43.05 -41.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.839 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.13 -60.65 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.778 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -55.86 -66.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 50.4 tp60 -38.56 -34.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.894 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.19 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.675 ' SG ' ' CD2' ' A' ' 34' ' ' LEU . 4.2 t -92.72 -51.72 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.778 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 3.4 mm? -33.34 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.4 mm100 -81.51 -41.06 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -61.0 -46.79 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.675 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -80.41 -11.65 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.1 tptt -47.91 -19.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -57.88 -95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.53 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 3.6 m-20 -101.24 -172.32 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -166.0 164.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 2.1 m 167.76 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -111.24 129.94 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 178.05 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.885 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -158.7 161.54 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -105.01 114.75 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.69 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 2.1 t -86.21 120.22 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -99.96 113.57 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 HG22 ' NZ ' ' A' ' 29' ' ' LYS . 1.8 mm -109.5 104.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.37 136.1 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 1.8 p30 -90.96 122.59 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' C ' HD21 ' A' ' 94' ' ' LEU . 1.4 tpt180 -158.32 159.19 35.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.48 129.69 89.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.14 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.661 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -59.1 146.5 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.442 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -67.01 -24.97 66.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -56.98 8.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -39.1 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.32 -25.24 65.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.52 -30.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.04 -53.36 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.492 ' HE3' ' CG2' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -70.11 -28.37 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.64 -37.99 66.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -76.24 -37.53 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -95.95 38.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -178.72 133.59 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.48 8.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.592 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -88.27 -15.96 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 20.08 -106.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.536 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 -36.09 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -47.0 -37.42 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -73.74 -34.25 64.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 3.4 mt -73.24 -54.12 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.76 -32.68 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 1.6 mmt180 -79.48 -18.8 51.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.98 -36.43 82.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.646 HD13 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -82.86 159.52 62.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.511 ' HD2' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.99 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.03 56.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.81 -65.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 3.4 p-10 -40.42 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' HB3' ' A' ' 84' ' ' LYS . 9.4 t -83.62 -61.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.044 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.598 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 11.0 p -80.43 -43.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.47 -6.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -123.19 -104.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.7 t80 -146.35 -6.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.816 ' O ' ' N ' ' A' ' 86' ' ' THR . 6.4 tttt -57.02 -134.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.578 ' CD2' HD21 ' A' ' 102' ' ' LEU . 32.8 m170 -29.34 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.945 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.74 -26.76 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -39.36 -156.51 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.04 19.86 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.65 -41.74 16.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.711 ' CE2' HD12 ' A' ' 94' ' ' LEU . 1.2 m-85 -107.13 -20.75 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.5 -170.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.661 ' N ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER 27.56 -97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.513 ' H ' ' HG2' ' A' ' 92' ' ' MET . 6.3 m-20 -96.19 103.09 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.711 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.75 -30.1 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 1.5 tt0 -50.89 -27.55 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.621 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 46.9 mmtt -62.5 -28.69 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -98.38 -49.94 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.663 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 80.7 t -58.77 -32.96 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -39.05 -25.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 4.1 ttt180 154.03 -19.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -65.14 -160.76 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER 34.94 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.758 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -143.45 157.94 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -93.97 100.01 4.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.95 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.667 ' HE2' ' C ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -179.02 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 23.3 mt-10 -135.94 142.52 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.66 129.65 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.667 ' CD1' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -100.35 116.33 32.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.788 ' CZ2' ' CD1' ' A' ' 129' ' ' ILE . 3.9 t90 -104.42 128.83 52.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 15' ' ' SER . 4.1 m -150.69 142.15 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.663 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -123.88 145.34 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CZ2' ' CG2' ' A' ' 13' ' ' THR . 16.8 p-90 -122.05 12.99 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.962 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.631 ' OE1' ' CE3' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -95.03 -39.05 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 4.6 m-20 -112.41 0.37 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.603 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 72.43 40.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.567 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -112.77 143.19 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.518 HG11 ' N ' ' A' ' 119' ' ' GLY . 76.3 t -147.84 158.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.518 ' N ' HG11 ' A' ' 118' ' ' VAL . . . 159.23 113.41 0.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.491 ' OD1' ' CD2' ' A' ' 70' ' ' LEU . 8.6 m120 -92.18 123.39 35.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 161.62 157.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.541 ' O ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.98 -41.84 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.67 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.698 ' HB3' ' CE2' ' A' ' 128' ' ' TYR . 5.5 m-20 -55.66 -49.57 72.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.731 HG12 ' CD1' ' A' ' 110' ' ' TRP . 1.5 mt -49.58 -59.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.76 ' O ' HG21 ' A' ' 130' ' ' ILE . 1.2 t70 -53.49 -44.75 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -60.78 -59.95 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.698 ' CE2' ' HB3' ' A' ' 124' ' ' ASP . 5.0 m-30 -70.04 -70.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.788 ' CD1' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -144.04 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.827 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -50.58 -170.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.827 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -42.25 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.885 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -158.15 82.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.559 ' HB3' ' N ' ' A' ' 130' ' ' ILE . 13.6 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 62.27 87.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.513 ' O ' ' CG2' ' A' ' 6' ' ' THR . 52.6 m-85 -156.87 171.79 19.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -84.81 -45.7 12.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 107.968 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HE2' ' CG2' ' A' ' 130' ' ' ILE . 0.9 OUTLIER -84.62 -16.22 42.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 3' ' ' PHE . 60.7 p 34.08 89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -165.09 146.25 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.8 tt0 -94.03 144.36 25.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.44 88.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -88.57 137.24 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.661 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.4 Cg_endo -74.98 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -147.31 -53.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -91.38 114.95 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.696 ' CG2' ' CZ3' ' A' ' 110' ' ' TRP . 19.7 mm -101.63 108.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' HG21 ' A' ' 111' ' ' VAL . 14.9 m -95.25 107.02 19.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HG ' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -109.19 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 2.8 m-85 -102.24 156.29 17.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.716 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.4 m -103.87 143.73 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.675 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . 2.0 m120 -152.4 57.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.696 ' CB ' ' HD2' ' A' ' 105' ' ' PRO . 11.5 t0 57.54 158.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.795 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -173.86 -93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -132.18 -148.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -29.51 -84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.748 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -85.75 95.96 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -48.89 -32.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.65 -54.16 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.748 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -61.43 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.804 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 41.3 tp60 -44.86 -28.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.795 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.31 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.93 -56.74 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.359 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.726 ' HB2' ' O ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -32.88 -49.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.804 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.3 mm100 -73.63 -35.67 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -61.17 -50.17 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.747 ' CA ' ' HB3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -71.93 -14.85 62.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.5 tmtt? -62.99 6.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -84.36 -107.67 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.536 ' C ' ' HG3' ' A' ' 131' ' ' GLN . 11.3 t0 -60.17 -144.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -92.99 170.42 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.631 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 15.6 m -123.18 125.25 44.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.631 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.8 m170 151.74 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER 77.29 -44.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CZ ' ' CG2' ' A' ' 44' ' ' VAL . 4.4 p90 -133.82 168.61 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.65 121.63 41.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.664 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 1.8 t -93.17 139.21 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.675 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -118.56 118.43 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.6 mp -111.46 109.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -137.45 141.86 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.716 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.6 p30 -110.95 116.72 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.428 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -168.36 166.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.669 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 7.7 t80 -74.46 129.83 83.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.659 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 61.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 9.2 p -58.9 145.02 42.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.587 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -64.93 -23.41 67.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.007 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -58.43 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -32.92 25.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.643 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -67.68 -21.42 65.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -38.06 -33.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 51.8 m-85 -75.1 -45.4 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.514 ' CG ' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -73.9 -31.74 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -52.55 -30.55 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -83.51 -46.6 12.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -84.31 49.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -174.27 144.29 0.95 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.4 Cg_endo -74.99 -36.46 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -94.3 -16.92 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . 38.84 -106.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.507 ' HA ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 -38.5 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.624 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 5.2 t -48.14 -37.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -63.75 -36.55 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.643 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.1 mm? -74.09 -60.72 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.624 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 1.2 pm0 -54.8 -33.09 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.611 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 2.0 mmt180 -78.67 -20.8 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -41.47 81.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -85.14 159.96 55.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.486 ' HG2' ' CB ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -75.01 149.35 36.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 79' ' ' SER . 14.1 tttt 69.67 42.16 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.74 -61.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -40.19 -28.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -76.94 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.62 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 4.9 p -78.43 -32.83 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.848 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER -58.21 -10.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -118.81 -101.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.674 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -139.65 1.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.715 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -62.05 -139.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.589 ' CG ' HD11 ' A' ' 102' ' ' LEU . 49.3 m170 -27.46 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.923 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.3 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.974 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -39.06 -157.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.974 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.01 19.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -90.9 -43.0 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 97' ' ' CYS . 1.5 m-85 -107.39 -24.24 11.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.669 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -37.35 -104.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.671 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -27.52 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.671 ' H ' ' HG2' ' A' ' 92' ' ' MET . 80.4 m-20 -103.76 104.44 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.743 ' CD2' ' CG2' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -74.61 -21.83 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.665 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -59.92 -27.91 67.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.62 ' C ' ' HG2' ' A' ' 99' ' ' GLN . 18.2 mmtp -65.18 -27.62 68.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 4.9 m -99.71 -47.87 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.743 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 1.4 t -65.21 -28.04 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.665 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.64 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.618 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 156.31 -17.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.68 -134.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.714 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER 0.38 -77.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.702 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -140.94 159.79 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 47.4 p-10 -106.85 84.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.702 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -74.99 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -152.09 47.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.511 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.0 mm-40 -113.3 146.25 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.608 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . . . -112.54 125.51 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.27 117.21 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.815 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 1.1 t-105 -114.29 120.07 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.626 ' O ' ' CZ3' ' A' ' 110' ' ' TRP . 13.1 m -131.21 134.87 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.815 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.9 t0 -108.92 128.0 54.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.417 ' HZ2' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -107.68 5.25 26.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -93.8 -44.74 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 1.3 t30 -112.97 -3.42 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.625 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 71.6 38.75 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -108.68 117.72 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 59' ' ' MET . 40.9 t -126.99 155.7 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.426 ' O ' ' OD2' ' A' ' 124' ' ' ASP . . . -174.15 114.18 0.49 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 1.7 m-80 -69.66 90.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.52 ' CB ' ' OD2' ' A' ' 124' ' ' ASP . 0.3 OUTLIER 168.06 148.1 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.97 -23.31 13.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.64 58.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.52 ' OD2' ' CB ' ' A' ' 121' ' ' GLU . 47.6 m-20 -54.3 -32.93 57.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.681 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -72.99 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.746 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -48.93 -44.36 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.21 -52.57 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.701 ' CG ' HD11 ' A' ' 129' ' ' ILE . 1.1 t80 -82.93 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.701 HD11 ' CG ' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -131.47 94.07 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.86 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -61.52 -164.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.86 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -50.65 -17.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.585 ' H ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -151.06 24.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 129' ' ' ILE . 37.2 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.473 0.178 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -154.8 131.45 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -165.35 90.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -38.95 20.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HG3' ' C ' ' A' ' 133' ' ' LYS . 1.4 mmmp? -73.56 -11.21 60.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.46 ' O ' ' CG2' ' A' ' 6' ' ' THR . 0.7 OUTLIER 44.27 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tp -177.38 142.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -64.78 105.56 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 55.32 108.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' CB ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 pp0? -68.87 140.24 91.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HB2' ' CG ' ' A' ' 112' ' ' ASP . 18.2 Cg_endo -74.96 163.34 35.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -110.53 -56.32 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 40.1 m -91.31 112.8 24.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mm -100.48 112.44 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' VAL . 13.2 t -98.82 104.61 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' CD1' HD13 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -111.52 149.06 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.643 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -116.76 159.36 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.636 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 2.5 m -102.0 143.85 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.651 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.8 m120 -155.92 62.11 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.622 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 5.2 t70 56.05 160.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.834 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -175.15 -88.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . . . -139.11 -132.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.578 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 2.8 m120 -85.59 100.32 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.683 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -50.57 -34.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.769 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.86 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.783 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.54 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.702 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 8.1 tp-100 -42.39 -33.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.834 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -47.88 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 79.2 m -96.71 -49.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.783 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -34.42 -44.92 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.702 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 34.3 mm-40 -80.31 -44.05 20.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -52.23 -43.38 64.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -82.57 -18.26 42.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.83 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.53 -54.31 23.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 35.5 m-20 -169.36 93.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 p -83.16 -176.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.533 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 61.4 m -168.68 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 162.05 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -128.96 -17.08 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -156.88 167.98 28.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.49 126.16 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.686 ' CG2' ' CE1' ' A' ' 42' ' ' PHE . 2.5 t -97.6 140.12 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -120.86 116.53 25.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.618 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -109.55 113.9 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -136.53 143.51 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 1.9 p30 -111.74 114.87 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -171.48 163.39 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.09 117.01 44.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' HD22 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.06 60.64 5.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.697 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -73.56 143.03 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.2 p90 -51.31 -21.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' THR . 34.7 t0 -42.54 -54.72 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.38 -59.36 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.637 ' CD1' ' HA ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -52.67 -20.59 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.706 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -35.9 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.1 m-85 -67.25 -56.08 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.557 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -77.04 -36.21 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.506 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -53.79 -24.66 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.87 -44.17 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.78 7.31 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -143.82 138.21 14.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.85 4.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -84.69 14.65 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.506 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . -29.3 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -31.54 6.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.561 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 2.4 t -49.17 -31.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -78.48 -38.67 40.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' A' ' 56' ' ' LEU . 3.1 mm? -73.11 -57.82 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 68' ' ' VAL . 14.1 pt20 -51.91 -45.04 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -70.08 -20.89 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.516 ' NE2' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.08 -38.15 78.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.669 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -84.83 164.74 40.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 163.13 35.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 51.66 70.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.882 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.75 -61.91 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 21.5 t70 -41.95 -25.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.623 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.28 -61.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.583 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 13.8 p -79.93 -37.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.882 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.26 1.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 80' ' ' VAL . 1.8 tmtp? -127.53 -98.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.6 m-85 -148.05 -6.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 ttpp -59.33 -133.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 84' ' ' LYS . 12.6 m-70 -31.15 -24.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.915 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -49.84 -30.78 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.972 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.29 -159.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.972 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.94 25.57 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.424 1.749 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.544 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -91.99 -43.12 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 1.7 m-85 -107.63 -28.83 9.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.628 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.79 -124.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.638 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -12.6 -61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.589 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 10.7 p-10 -117.84 99.89 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.729 ' C ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 -53.02 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.667 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -57.01 -25.67 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.595 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 5.5 mmmm -69.67 -27.13 64.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -98.43 -39.33 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 108.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.584 ' CG1' ' HB2' ' A' ' 20' ' ' ASP . 2.3 t -78.87 -24.43 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -34.22 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 98' ' ' VAL . 12.4 ptm180 173.47 -31.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -64.39 -150.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.654 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 30.34 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.659 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -147.94 158.09 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -99.3 99.69 8.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.699 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -75.03 -17.94 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.821 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 30.5 34.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 105' ' ' PRO . 6.6 mt-10 -103.65 157.59 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HB3' ' CA ' ' A' ' 122' ' ' PRO . . . -112.11 129.34 56.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.612 ' CB ' ' HB2' ' A' ' 17' ' ' PHE . 1.1 mm? -90.78 116.73 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.73 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -109.55 122.37 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 107.989 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.545 HG21 ' CG1' ' A' ' 118' ' ' VAL . 0.5 OUTLIER -148.24 133.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.73 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -125.86 132.83 52.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.69 7.52 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.4 tm-20 -91.28 -46.09 8.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -112.68 17.22 19.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 5.8 ptpt 52.81 41.55 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.615 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -110.32 146.22 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.556 ' CG1' ' CE ' ' A' ' 59' ' ' MET . 21.3 m -150.83 165.02 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.537 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 167.59 144.04 4.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 20.8 p-10 -92.95 174.36 7.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.4 OUTLIER 77.46 148.95 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.545 ' CA ' ' HB3' ' A' ' 108' ' ' ALA . 18.4 Cg_endo -75.05 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -56.42 -29.08 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -56.94 -48.46 78.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -47.0 -55.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.776 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.2 t0 -47.3 -53.02 14.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.55 -47.69 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.603 ' CD2' ' NE1' ' A' ' 110' ' ' TRP . 82.7 m-85 -87.04 -85.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.657 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -115.77 92.09 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.776 HG22 ' O ' ' A' ' 126' ' ' ASP . 2.6 pp -48.95 -161.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.98 -56.7 11.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.696 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -110.08 16.14 22.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.581 ' N ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.495 0.188 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -150.77 162.5 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -143.95 118.37 9.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -80.58 -44.28 19.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 108.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' NE ' ' A' ' 132' ' ' ARG . 2.6 mmtm -73.26 -11.08 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER 40.22 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -174.63 143.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tp-100 -39.48 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -110.38 144.5 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.241 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 133' ' ' LYS . 7.8 pm0 -88.94 131.2 42.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.3 Cg_endo -75.03 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 8.6 ttt85 -142.76 -40.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 97.1 m -120.42 116.62 25.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.754 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 5.0 mm -104.16 124.86 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -95.83 100.89 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.645 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -112.39 119.44 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.4 m-30 -98.47 156.07 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.526 ' CG2' ' HB3' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -99.37 139.11 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.591 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -139.12 40.7 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.739 ' C ' HG13 ' A' ' 21' ' ' ILE . 8.8 t0 54.8 144.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.739 HG13 ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -150.81 -65.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.75 -144.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -30.08 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.731 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.3 m120 -84.72 100.84 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.7 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.8 mp -49.27 -41.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.813 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -81.85 -57.88 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.803 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.07 -65.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.791 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 52.2 tp60 -42.39 -35.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.813 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -49.16 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 1.6 t -95.39 -54.53 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.803 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -31.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.791 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.4 mm100 -77.48 -46.31 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 3.2 tp -51.77 -52.07 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.649 ' HB3' ' HB3' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -62.39 -29.92 70.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -65.94 -0.12 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -85.94 -86.48 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 t70 -68.87 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 39' ' ' SER . 2.0 t -157.87 146.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 153.67 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 14.6 t60 -179.34 161.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 1.4 ptp180 157.32 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.754 ' CE2' ' CG1' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -135.8 172.11 13.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.627 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.52 128.0 44.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 ' CZ ' ' A' ' 42' ' ' PHE . 39.4 t -89.59 135.79 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.6 mm-40 -108.21 109.21 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.635 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.33 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.43 133.02 22.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.526 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 0.9 OUTLIER -86.73 122.62 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.65 157.51 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.78 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.4 128.0 92.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HB2' ' CB ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 50.57 2.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.625 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.51 150.85 34.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.458 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 57' ' ' GLN . 1.7 p-90 -67.32 -24.96 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -60.42 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.82 -39.51 13.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.99 -23.67 65.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 17.7 tp60 -42.29 -43.21 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.43 ' O ' ' OG1' ' A' ' 61' ' ' THR . 2.6 m-85 -55.47 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.583 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 2.9 mmm -69.9 -30.8 68.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.571 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -55.88 -37.0 68.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -71.17 -40.48 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -99.66 69.43 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' A' ' 118' ' ' VAL . 0.1 OUTLIER 171.05 146.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.51 2.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -96.22 -4.34 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 18.09 -102.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 65' ' ' GLN . 3.7 p -42.71 -27.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.573 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -62.63 -48.57 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' CB ' ' HB2' ' A' ' 51' ' ' PRO . 1.6 mm? -73.29 -52.15 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -47.96 -41.97 26.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HA ' ' CG ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -81.04 -18.5 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' CB ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -69.48 -43.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.489 HG12 ' CD ' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -79.96 164.35 53.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -74.98 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.1 OUTLIER 29.79 49.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.793 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -41.83 -64.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 14.0 t0 -41.13 -25.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.2 t -75.48 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.889 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 5.5 p -80.2 -32.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.793 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -61.31 -7.59 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -131.97 -96.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.58 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 72.8 t80 -166.11 9.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.721 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.3 ttpp -56.95 -149.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' O ' ' CG2' ' A' ' 89' ' ' THR . 0.1 OUTLIER -35.05 -22.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.107 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.9 t -54.46 -14.79 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.218 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.1 t0 -32.21 -142.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.218 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 20.62 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.2 t -81.29 -48.04 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.696 ' CD1' ' HB2' ' A' ' 97' ' ' CYS . 5.7 m-85 -101.95 -18.8 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -48.13 -167.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.667 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 21.83 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.667 ' H ' ' HG2' ' A' ' 92' ' ' MET . 20.2 m-20 -105.14 101.85 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.673 HD13 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.74 -23.3 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.7 OUTLIER -53.69 -28.39 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.668 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 2.7 mmtp -62.13 -30.92 71.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.696 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 20.5 m -96.34 -49.17 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.618 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 63.2 t -58.1 -33.96 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.692 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -42.19 -21.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.4 tmt_? 140.09 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.92 -116.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -15.98 -82.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.839 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -146.67 152.13 38.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.0 p-10 -90.0 99.89 2.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.839 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.631 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -145.0 43.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.574 ' CB ' ' HG3' ' A' ' 73' ' ' GLN . 5.4 mm-40 -128.88 156.15 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.55 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -117.31 142.7 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.633 ' N ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -110.96 112.16 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.633 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -111.53 134.19 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 15.3 m -157.51 128.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 117' ' ' LEU . 27.8 t70 -111.47 146.84 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.1 t90 -122.75 6.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.542 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -89.36 -47.31 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.616 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -115.74 21.96 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 11.2 ptpt 53.6 54.49 9.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.37 138.23 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.606 ' N ' ' CH2' ' A' ' 110' ' ' TRP . 71.4 t -149.5 144.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 175.43 143.27 4.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -93.51 173.59 7.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.67 144.3 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.9 -26.43 68.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.633 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -56.49 -47.46 79.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -45.0 -52.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.797 ' O ' HG23 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -50.97 -49.72 59.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.548 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -55.58 -57.9 10.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.642 ' HB3' ' CD1' ' A' ' 129' ' ' ILE . 69.9 m-85 -74.83 -83.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.642 ' CD1' ' HB3' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -128.78 91.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.823 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -53.22 -155.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.823 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.5 pt20 -53.61 -3.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.793 ' NE ' HD11 ' A' ' 130' ' ' ILE . 3.3 ppt_? -126.8 -169.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.49 0.186 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.43 104.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.482 ' O ' ' CG2' ' A' ' 6' ' ' THR . 1.3 m-85 -103.17 172.29 6.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -84.94 -39.08 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HE2' HD11 ' A' ' 130' ' ' ILE . 36.0 mmtm -71.99 -22.3 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 3' ' ' PHE . 69.8 p 34.84 -153.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER 76.16 111.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -43.11 168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.502 ' CG ' ' HD3' ' A' ' 116' ' ' LYS . 2.6 mpt_? 62.44 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -86.78 125.91 65.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.701 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.3 Cg_endo -74.95 149.2 36.57 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -125.58 -45.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -121.98 119.55 31.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.643 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.8 mm -96.05 105.98 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -104.46 104.23 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -120.08 140.57 50.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 111' ' ' VAL . 2.5 m-30 -105.86 163.53 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.645 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.2 m -100.12 141.58 32.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.522 ' C ' ' CG1' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -147.87 35.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.6 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 8.3 t0 58.32 151.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.812 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -145.27 -79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -136.82 -134.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -34.31 -65.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.791 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 4.6 m-20 -101.77 140.75 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.812 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 mm -80.65 -46.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HA ' HG23 ' A' ' 18' ' ' THR . 1.8 ptpt -86.29 -48.79 8.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.725 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -54.3 -56.9 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.791 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 46.8 tp60 -59.36 -46.02 89.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.689 ' HB2' HD12 ' A' ' 21' ' ' ILE . 31.5 ttpt -33.05 -96.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.603 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -98.2 -41.03 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.298 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.725 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -37.95 -43.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.714 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 77.9 mm-40 -85.76 -34.17 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -62.94 -48.27 79.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' CD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -90.28 -7.25 53.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptp -49.13 -37.49 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.668 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -49.01 -95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 2.5 m-20 -87.29 165.12 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.631 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 178.62 143.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 4.1 p 148.46 132.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.5 m170 33.58 -132.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.593 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 10.6 mpt_? 63.44 -146.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CE2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -83.88 172.29 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.76 121.1 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.58 ' CG1' ' CD2' ' A' ' 34' ' ' LEU . 10.6 t -89.99 139.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -110.29 114.97 28.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.538 HG23 ' CE ' ' A' ' 29' ' ' LYS . 2.2 mp -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -139.5 141.25 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.645 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 11.1 p30 -100.92 119.89 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -169.25 158.61 8.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CD1' ' HD2' ' A' ' 51' ' ' PRO . 14.0 t80 -80.19 137.29 52.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.786 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.97 59.78 5.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 7.2 p -56.31 131.4 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' HD23 ' A' ' 56' ' ' LEU . 1.9 t-105 -51.39 -24.86 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -86.55 -31.13 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.662 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -59.34 -25.9 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.503 ' NE2' ' CE1' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -41.36 -34.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 42.1 m-85 -74.97 -44.44 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.506 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -71.15 -31.99 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -55.81 -43.43 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -46.8 72.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.25 46.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 13.1 t -178.38 134.7 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.2 Cg_endo -75.05 -32.39 5.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.516 ' O ' ' C ' ' A' ' 66' ' ' GLY . 31.2 mt-30 -94.99 -21.23 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 27.48 -100.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.672 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -47.09 -25.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -79.27 -41.1 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD1' HD13 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -78.61 -55.6 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.519 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 11.6 pt20 -53.22 -47.44 68.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.672 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 11.2 mmm-85 -72.73 -23.24 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -63.14 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -86.76 138.53 33.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.0 54.38 3.62 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 79' ' ' SER . 0.0 OUTLIER -173.95 30.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.784 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.32 -62.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.514 ' N ' HD21 ' A' ' 81' ' ' LEU . 9.3 t0 -38.84 -31.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.576 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 38.6 m -84.76 -58.9 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.554 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.2 p -77.89 -52.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.784 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.87 -25.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 19.0 mmmt -99.0 -106.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -143.1 -6.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.35 -133.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.543 ' C ' ' O ' ' A' ' 84' ' ' LYS . 37.5 m-70 -26.92 -28.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.936 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.72 -29.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.942 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER -39.53 -157.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 21.74 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.609 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -87.42 -47.42 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.609 ' N ' HG23 ' A' ' 89' ' ' THR . 2.1 m-85 -108.97 -25.15 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 50' ' ' PHE . . . -35.7 -101.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.639 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -29.95 -101.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.639 ' H ' ' HG2' ' A' ' 92' ' ' MET . 3.9 m-20 -103.18 105.43 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.667 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -74.66 -39.52 61.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.62 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 1.4 tt0 -49.52 -29.95 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.64 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 13.0 mmtp -65.69 -28.2 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.9 m -97.8 -48.0 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.621 ' HB ' ' CD2' ' A' ' 94' ' ' LEU . 2.3 t -64.21 -30.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -38.85 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' VAL . 13.7 ttt-85 174.52 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -66.76 -167.87 2.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 89' ' ' THR . 0.3 OUTLIER 36.33 -95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.289 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -147.26 153.21 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.441 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 19.0 p-10 -98.69 105.47 30.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.804 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.0 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.804 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 27.38 44.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 38.5 mm-40 -131.16 152.13 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.94 131.31 56.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.63 ' H ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -94.54 112.68 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.816 ' CZ2' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -112.75 110.27 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.61 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 20.2 m -127.7 135.53 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.816 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -110.25 138.05 47.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.498 ' CD1' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -104.44 -83.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.52 -9.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.689 ' HB3' ' HB3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -97.67 -2.03 42.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HD3' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 46.07 35.76 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.4 OUTLIER -136.56 151.16 49.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.506 HG21 ' HG3' ' A' ' 59' ' ' MET . 13.4 t -152.3 164.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 118' ' ' VAL . . . 171.45 110.45 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 5.2 t-20 -74.2 98.97 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.1 mt-10 157.62 154.11 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -22.82 14.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.434 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -75.74 -31.41 59.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.616 ' CG ' ' CD1' ' A' ' 110' ' ' TRP . 10.6 t0 -52.25 -33.0 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.517 HG21 ' N ' ' A' ' 126' ' ' ASP . 0.2 OUTLIER -68.54 -56.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.805 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -56.6 -51.73 67.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -46.54 -51.01 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.701 ' CZ ' ' HG3' ' A' ' 11' ' ' PRO . 1.4 t80 -92.51 -92.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.72 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.6 OUTLIER -101.91 89.84 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.805 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 2.7 pp -45.56 -164.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.668 ' OE1' ' N ' ' A' ' 36' ' ' GLY . 12.8 mt-30 -51.17 -54.07 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -125.88 90.27 3.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.181 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.7 94.57 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -158.05 69.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -78.72 -41.08 31.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -73.99 -47.51 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -90.6 -159.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -143.05 -61.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' ARG . 2.7 tt0 -112.84 129.73 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER 59.41 147.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 133' ' ' LYS . 0.6 OUTLIER -81.36 127.29 74.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.587 ' CB ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.97 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' H ' ' CG ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.54 -72.33 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.691 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 7.7 m -92.18 118.42 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.786 HG21 ' CZ3' ' A' ' 110' ' ' TRP . 8.7 mm -95.69 112.65 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.13 98.75 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.702 HD22 ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -107.03 131.24 54.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.4 m-30 -103.8 150.21 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.649 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -103.75 138.29 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.3 t-20 -136.02 39.86 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.602 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 56.65 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.725 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -158.94 -83.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.89 -124.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -40.21 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.756 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m-20 -82.41 102.71 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.722 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -42.34 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.87 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.77 -69.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 57.1 tp60 -41.15 -32.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.725 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -51.14 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.499 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 4.2 m -94.13 -45.42 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.87 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -35.96 -40.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.642 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 25.7 mm-40 -82.01 -43.25 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.99 -43.07 73.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.619 ' CD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.94 -18.06 48.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.3 tttm -58.8 -11.84 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.49 93.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 14.1 m-20 -151.36 -170.79 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -157.86 164.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.525 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.3 OUTLIER 169.97 -162.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 119.7 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -179.32 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.836 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -150.23 161.88 41.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 1.9 m-20 -113.18 125.28 54.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.762 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 2.9 t -94.78 133.91 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.06 116.69 32.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -109.43 105.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.35 135.1 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 6.4 p30 -95.48 119.79 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' C ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -162.86 155.18 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.758 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.88 123.94 89.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HG3' ' CD1' ' A' ' 109' ' ' LEU . 18.3 Cg_endo -74.95 58.05 4.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.645 HG21 ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -63.5 159.28 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.633 ' CZ3' ' HB2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -67.8 -25.91 65.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 108.01 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.5 -59.06 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.3 mt-30 -81.94 -43.02 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.562 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.68 -24.13 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -44.48 -31.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 24.1 m-85 -73.16 -55.95 5.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.527 ' CG ' HG11 ' A' ' 118' ' ' VAL . 0.7 OUTLIER -68.34 -29.91 68.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -51.11 -33.14 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.28 -43.93 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -56.32 -33.7 65.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.9 m -147.67 149.48 33.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.22 12.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.583 ' O ' ' CB ' ' A' ' 69' ' ' SER . 1.1 mp0 -81.18 10.12 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 60' ' ' ARG . . . -33.61 -90.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.633 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.1 Cg_endo -75.04 -43.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.669 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -43.53 -33.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 70.2 p -78.71 -37.69 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.576 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -73.02 -56.95 4.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 2.0 mm100 -54.26 -43.28 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.669 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -74.33 -16.08 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 69' ' ' SER . 6.7 tp-100 -66.93 -40.5 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.9 140.77 54.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.01 70.02 5.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG3' ' CE3' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 167.21 37.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -48.27 -61.08 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 10.5 t0 -39.31 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.593 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 52.3 m -87.14 -59.13 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.698 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 14.7 p -78.23 -47.67 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.64 -12.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -116.24 -103.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' ' O ' ' A' ' 84' ' ' LYS . 5.9 m-85 -152.18 -0.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.78 ' O ' ' N ' ' A' ' 86' ' ' THR . 5.5 tttt -54.32 -138.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.698 ' CE1' ' HB ' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -34.76 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.074 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -47.35 -24.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.074 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -33.18 -156.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.006 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 22.08 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -78.66 -46.45 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.815 ' CE1' ' HB3' ' A' ' 97' ' ' CYS . 11.9 m-85 -107.69 -18.56 13.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.88 -171.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.69 ' N ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER 27.77 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.625 ' H ' ' HG2' ' A' ' 92' ' ' MET . 54.2 m-20 -102.97 101.82 11.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -75.38 -32.81 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.512 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -52.31 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.659 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.3 mmmm -70.46 -21.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.815 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -95.13 -44.54 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.638 ' CG1' HD13 ' A' ' 94' ' ' LEU . 1.6 m -73.26 -28.54 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.719 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -36.52 -37.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.719 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 2.4 tpt180 160.62 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -135.97 -168.39 11.51 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 39.08 -121.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.64 156.02 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.496 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 5.5 m120 -78.45 109.49 10.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.62 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.97 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 36.19 30.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 22.6 mm-40 -116.03 152.91 32.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 122' ' ' PRO . . . -114.73 142.1 46.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.575 HD23 ' CD2' ' A' ' 70' ' ' LEU . 14.3 mt -114.57 117.95 32.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.786 ' CZ3' HG21 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -109.79 115.81 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 107.989 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.663 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 3.9 m -142.28 132.19 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.96 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -111.81 151.63 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.459 ' HE1' ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -111.92 -78.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.24 -11.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.624 ' ND2' ' CG ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -106.91 -13.03 15.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.2 ptmt 46.6 53.92 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.96 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 0.2 OUTLIER -145.78 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 59' ' ' MET . 2.1 m -130.79 152.79 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . -166.54 117.24 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.1 160.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.45 152.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.517 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.02 -40.46 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.82 -28.06 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.459 ' OD1' ' CE2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -55.84 -42.83 76.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -50.04 -56.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.724 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.45 -55.92 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.5 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -50.38 -51.05 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.545 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 13.3 m-30 -81.78 -84.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.622 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -119.62 96.24 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 126' ' ' ASP . 1.7 pp -52.13 -152.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.587 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -76.24 3.83 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.836 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -179.61 81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.492 0.187 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -62.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -41.43 120.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.81 -47.52 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HD2' ' CD1' ' A' ' 130' ' ' ILE . 2.0 mmpp? -86.18 -32.35 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER 38.3 84.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -145.2 116.75 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' ARG . 2.1 tt0 -38.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 0.7 OUTLIER 60.1 123.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.88 138.42 27.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.524 ' CB ' ' OD2' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -75.04 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.608 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.19 -43.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 20.4 m -106.61 113.12 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.724 ' CG2' ' CZ3' ' A' ' 110' ' ' TRP . 7.2 mm -96.93 110.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.516 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 0.5 OUTLIER -94.0 97.78 10.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -106.83 125.07 50.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.57 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.2 m-30 -99.11 152.44 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.567 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.2 m -104.73 135.68 45.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.708 ' H ' ' CE ' ' A' ' 29' ' ' LYS . 2.7 m120 -139.44 41.09 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 13.8 t70 71.25 160.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.778 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -164.26 -82.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . . . -151.46 -114.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m120 -96.95 96.0 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.778 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp -48.41 -40.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -82.99 -58.61 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.747 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -54.57 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.842 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -39.95 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.708 ' CE ' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -51.84 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.621 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -91.94 -54.27 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.8 mm? -32.91 -42.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.842 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -81.13 -43.79 18.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 2.4 tp -54.06 -46.71 72.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -76.38 -18.52 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.8 tttt -57.98 -2.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -77.2 -62.07 2.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.551 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 74.2 m-20 -153.26 47.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.73 149.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . 7.4 m -137.23 -150.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -145.55 65.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' HG3' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -133.75 -1.34 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.695 ' CE2' ' CG2' ' A' ' 44' ' ' VAL . 1.4 p90 -158.61 163.04 37.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.83 119.04 38.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.695 ' CG2' ' CE2' ' A' ' 42' ' ' PHE . 24.0 t -92.98 134.91 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.685 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -118.13 115.22 24.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.574 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.83 104.49 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.54 138.31 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 9.3 p30 -92.85 118.47 31.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.488 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -167.13 158.15 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 8.4 t80 -87.36 140.37 32.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.56 ' CG ' ' HB3' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 60.12 5.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 54' ' ' ASP . 66.4 p -57.77 141.47 48.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -46.03 -26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -58.74 -60.63 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -83.35 -52.87 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -47.95 -24.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -44.47 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -76.09 -53.8 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.497 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -70.47 -26.22 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.28 -32.74 50.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -89.11 -44.27 10.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 m -54.62 -64.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 146.05 36.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.8 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.7 mt-30 -84.93 -18.97 32.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.94 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.2 t -44.44 -36.57 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 65' ' ' GLN . 3.6 m -76.3 -40.94 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.48 -58.69 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -50.53 -35.3 28.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 7.5 mmt180 -78.8 -17.96 54.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.78 -39.46 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -63.46 173.36 1.26 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.95 -38.41 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' O ' HG13 ' A' ' 80' ' ' VAL . 12.6 mmtt -111.39 91.51 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.818 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -72.07 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.607 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.8 p-10 -44.56 -25.37 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -82.68 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.647 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.9 p -74.69 -40.36 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.818 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -55.2 -16.6 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.516 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -108.49 -104.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.724 ' C ' HG22 ' A' ' 86' ' ' THR . 1.1 t80 -141.19 3.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.691 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.53 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.615 ' CD2' HD21 ' A' ' 102' ' ' LEU . 28.8 m-70 -30.4 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.959 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -44.46 -30.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.99 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -37.98 -159.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.99 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 21.01 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -85.46 -41.61 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' O ' ' O ' ' A' ' 91' ' ' GLY . 14.8 m-85 -103.87 -21.45 13.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.75 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.91 -149.94 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.69 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 1.55 -69.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.698 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -110.35 105.22 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' CB ' ' HB2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -90.14 -51.83 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -48.79 -31.08 6.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -59.94 -25.4 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.684 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 27.8 t -102.85 -48.13 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 90' ' ' PHE . 2.6 t -72.92 -18.4 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.3 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 164.2 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.01 -150.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.615 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 23.92 -96.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.671 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -142.04 152.32 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.955 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.85 102.41 13.37 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.844 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.844 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 25.3 45.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 105' ' ' PRO . 7.3 mt-10 -121.92 151.61 40.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.605 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . . . -109.66 137.77 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 5.1 mt -109.48 117.49 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.79 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 2.0 t-105 -107.0 120.44 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.553 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 1.0 OUTLIER -143.38 132.49 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.79 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.7 t0 -115.45 141.93 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.607 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 17.2 t90 -117.77 1.63 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.608 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.6 mm-40 -88.73 -46.37 9.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 9' ' ' ARG . 9.2 m-20 -113.69 16.8 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 4.3 pttt 51.05 40.23 25.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.582 ' HG ' ' CB ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -112.95 121.15 43.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.451 HG23 ' HB ' ' A' ' 111' ' ' VAL . 91.0 t -136.72 166.43 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . 172.88 125.59 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.2 p-10 -62.88 163.37 9.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 80.36 150.24 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.455 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.0 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.498 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -53.64 -24.85 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.442 ' CG ' ' HA3' ' A' ' 119' ' ' GLY . 3.0 t70 -52.85 -49.9 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.593 HG21 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.53 -53.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.793 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -45.79 -50.0 14.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -52.89 -48.52 67.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.548 ' CG ' HD13 ' A' ' 117' ' ' LEU . 78.1 m-85 -86.74 -84.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.593 ' O ' HG21 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -121.48 90.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.843 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -56.71 -159.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.843 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.38 -19.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.679 ' CG ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -122.2 152.46 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.571 ' C ' ' CG ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -130.43 -75.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.31 127.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.32 -43.6 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 108.047 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -85.23 -11.28 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 57.03 169.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 tp 68.09 119.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -75.23 165.32 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.71 81.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.36 135.77 43.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -74.97 148.71 35.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 2.6 ttt85 -93.02 -51.41 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 m -91.15 114.4 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.9 mm -106.15 113.5 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 0.5 OUTLIER -99.71 102.86 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.611 ' CD1' HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -106.8 131.14 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 53.8 m-85 -102.73 150.11 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.685 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -103.56 140.85 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 5.2 m-80 -145.97 64.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.66 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 15.3 t70 56.15 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.818 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -175.24 -90.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -135.54 -143.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 22' ' ' ALA . 7.0 t -33.55 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.676 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-20 -90.12 96.29 10.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.746 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -33.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.05 -56.63 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.68 -66.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.721 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 40.9 tp60 -41.41 -31.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.818 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.87 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 33' ' ' LEU . 2.8 t -92.38 -50.22 5.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -33.73 -40.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.721 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.9 mm100 -80.83 -42.44 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -56.9 -41.8 78.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -81.6 -16.6 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptm -61.08 -7.24 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -165.93 112.43 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HB3' ' HG2' ' A' ' 131' ' ' GLN . 4.0 t0 174.7 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' CG2' ' C ' ' A' ' 37' ' ' ASP . 2.0 t -153.1 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.403 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -101.79 -147.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.532 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -131.96 148.77 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' CG ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -152.33 -43.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.69 ' CD1' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -111.15 177.46 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.47 119.06 33.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 45' ' ' GLU . 72.9 t -89.54 139.15 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.734 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.6 113.57 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -118.06 100.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.56 140.89 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.588 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 1.3 p30 -100.15 116.99 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -166.33 155.8 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.681 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.86 110.39 5.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.98 58.77 4.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.649 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.78 165.2 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.584 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -69.28 -22.88 63.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.35 -57.5 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.72 -52.76 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -55.2 -19.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.584 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 tp60 -36.37 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' LEU . 33.8 m-85 -71.03 -51.25 26.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.7 mmt -74.32 -38.26 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -53.33 -22.86 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -86.97 -43.28 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -20.07 62.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -132.75 132.66 22.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.91 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.483 ' CA ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-30 -96.41 14.61 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -56.61 -52.83 47.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.544 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 18.4 Cg_endo -74.98 -51.76 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.652 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 4.2 p -48.49 -30.81 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 1.3 t -69.04 -33.3 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 56' ' ' LEU . 3.5 mt -75.63 -55.51 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.652 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.2 pt20 -59.77 -38.54 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.4 OUTLIER -82.43 -16.91 47.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -65.23 -41.84 94.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -78.44 140.47 60.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HG3' ' HA ' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -74.98 69.47 5.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' SER . 1.3 tttt 170.79 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.801 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.01 -62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 1.8 t70 -43.92 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.494 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -85.3 -61.95 1.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.93 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 9.2 p -83.85 -43.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.801 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.97 -5.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -125.25 -97.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.587 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -168.81 6.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.9 ttpp -53.43 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.617 ' O ' ' CG2' ' A' ' 89' ' ' THR . 22.5 m170 -36.21 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.161 ' O ' ' O ' ' A' ' 87' ' ' ASP . 4.3 t -52.52 -17.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.161 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -29.2 -146.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.159 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.05 21.38 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.7 t -78.88 -50.93 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.807 ' CD1' ' HB3' ' A' ' 97' ' ' CYS . 45.2 m-85 -97.4 -20.31 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.796 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -44.65 -138.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.63 ' HE1' ' CA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -20.46 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.598 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.1 m-20 -115.94 101.53 8.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.639 ' HA ' ' HA ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -88.05 -51.11 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.763 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 3.1 mm100 -54.38 -29.96 50.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 7.7 mmmm -65.56 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.807 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 32.2 t -98.34 -53.05 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -75.45 -12.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.763 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.45 -25.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 98' ' ' VAL . 8.6 ttt180 156.32 -13.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -75.92 -150.51 3.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.534 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 29.78 -96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.669 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -141.5 154.04 45.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.12 106.44 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.722 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -26.9 10.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.807 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.37 32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.7 ' N ' ' O ' ' A' ' 105' ' ' PRO . 5.6 mm-40 -105.21 149.32 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HA ' ' CD ' ' A' ' 29' ' ' LYS . . . -113.37 126.53 55.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 7.5 mt -103.07 138.51 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.644 ' CE2' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.83 143.02 50.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.506 HG12 ' C ' ' A' ' 110' ' ' TRP . 3.2 m -157.34 132.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -114.57 143.3 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.94 0.76 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.5 mm-40 -87.73 -49.15 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.6 OUTLIER -117.17 15.0 14.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 18.9 pttt 51.34 60.55 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.612 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -126.49 117.28 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 111' ' ' VAL . 3.1 m -135.4 162.58 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 128' ' ' TYR . . . 174.15 136.52 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.0 p-10 -80.23 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 83.28 144.21 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.414 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.54 -32.07 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' CG ' ' CE2' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -57.52 -40.47 78.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -52.65 -57.11 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -41.76 -51.01 4.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -58.2 -57.3 13.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.454 ' CE2' ' CG ' ' A' ' 124' ' ' ASP . 12.5 m-85 -69.92 -79.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -136.79 87.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.9 OUTLIER -26.61 -118.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -96.58 -60.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.69 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -71.26 -67.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.674 ' C ' ' CG2' ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.488 0.185 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 62.58 127.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.95 117.79 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -25.39 34.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 130' ' ' ILE . 3.8 mptt -88.75 -35.3 16.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' LYS . 9.7 t 36.32 -155.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' CD2' ' CD1' ' A' ' 128' ' ' TYR . 0.1 OUTLIER 75.67 172.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' LEU . 1.8 tt0 -52.28 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.1 130.65 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -70.84 136.21 85.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.679 ' HG3' ' CE2' ' A' ' 128' ' ' TYR . 18.3 Cg_endo -75.02 -157.01 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.55 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 28.6 mtt180 -143.56 -64.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -91.4 119.56 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 6.0 mm -92.99 110.95 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.4 m -107.49 105.18 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.529 HD23 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -126.87 140.99 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.525 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 18.1 m-30 -106.55 163.25 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.668 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 6.3 m -99.41 144.41 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -144.03 34.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.609 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.0 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.776 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -162.3 -87.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -123.61 -146.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -18.74 -76.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.782 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -94.21 149.12 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.677 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm -79.0 -50.61 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.68 -51.29 6.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.768 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -47.61 -50.75 23.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.782 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 8.7 tp-100 -70.1 -43.08 71.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -37.04 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.658 ' O ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -97.94 -36.15 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.247 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.768 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -43.46 -36.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.706 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 17.4 mm100 -86.38 -31.56 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 1.6 tp -66.33 -48.44 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.693 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -78.21 -17.89 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.35 -19.65 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.75 -83.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' CB ' ' NE2' ' A' ' 131' ' ' GLN . 0.6 OUTLIER -103.53 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 39' ' ' SER . 2.6 t -148.06 164.65 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 132' ' ' ARG . 48.5 t 178.81 -145.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' N ' ' OG ' ' A' ' 39' ' ' SER . 3.2 t60 -158.54 103.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -149.63 -46.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.759 ' CE1' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -143.38 170.4 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.09 130.62 53.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 132' ' ' ARG . 22.0 t -97.63 143.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -107.74 116.6 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.6 mp -115.64 105.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.12 139.24 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -99.95 115.43 29.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -172.44 165.33 5.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -84.26 136.09 40.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' CG ' ' HG ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 69.77 5.45 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -55.92 138.28 48.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.531 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.4 p90 -52.71 -27.22 16.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -50.56 -57.97 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.8 mt-30 -85.83 -50.74 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.564 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.14 -25.65 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.531 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.15 -27.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 31.6 m-85 -73.48 -51.09 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.4 mmt -75.08 -36.48 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -55.24 -22.76 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -87.06 -44.44 11.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 p -47.37 -38.84 13.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -136.28 155.01 77.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.53 5.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 4.0 mt-30 -95.29 11.88 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -54.84 -51.01 56.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.96 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.688 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 3.6 m -48.47 -29.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 4.0 m -61.46 -32.27 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.642 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 3.2 mm? -76.84 -63.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.597 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.3 pt20 -53.95 -44.22 70.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.688 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.505 ' HG3' ' CB ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -68.0 -38.69 82.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -80.32 141.67 53.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 18.5 Cg_endo -74.95 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' CZ3' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 161.45 40.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.791 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.77 -60.44 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' N ' HD23 ' A' ' 81' ' ' LEU . 10.0 t70 -37.18 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -88.14 -58.46 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.666 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.3 p -78.39 -46.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.97 -13.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -109.14 -107.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.693 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -139.32 3.48 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -58.72 -143.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 102' ' ' LEU . 11.2 m-70 -35.79 -25.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.948 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -45.76 -26.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.052 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.6 -156.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.052 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 19.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.552 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.08 -40.85 17.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.71 ' O ' ' HB2' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -104.93 -22.19 13.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.57 -165.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.613 ' CE ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 22.82 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.596 ' H ' ' HG2' ' A' ' 92' ' ' MET . 9.6 m-20 -107.36 106.03 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.683 HD11 ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -83.07 -32.6 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 11.4 tt0 -47.31 -27.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.1 mmtt -62.75 -27.67 69.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 11.5 m -100.04 -49.2 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 94' ' ' LEU . 25.6 t -62.71 -28.55 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.618 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.2 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' VAL . 16.7 ttt180 161.89 -26.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -70.29 -157.85 2.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.763 ' CD1' ' CE2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 35.39 -98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.771 ' CZ3' ' HG3' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -151.5 144.66 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.493 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 1.2 m-20 -87.39 109.08 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.742 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -74.98 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.742 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 24.04 53.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 105' ' ' PRO . 11.7 mt-10 -145.13 155.45 43.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.09 127.54 55.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -99.43 118.26 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.74 ' CE2' HD13 ' A' ' 129' ' ' ILE . 2.0 t-105 -109.85 140.02 44.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.967 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.578 ' HA ' HG13 ' A' ' 118' ' ' VAL . 4.4 m -152.38 134.74 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.726 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -113.21 137.99 50.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.24 2.98 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.043 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.613 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.4 tp10 -90.72 -53.71 4.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.666 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER -115.71 17.17 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.619 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 2.8 pttm 51.81 58.57 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.71 ' CD2' ' CE2' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -115.07 110.9 20.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.578 HG13 ' HA ' ' A' ' 111' ' ' VAL . 6.4 m -135.95 146.94 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.84 144.41 9.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.8 p-10 -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 158.58 149.99 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.482 ' O ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.95 -33.93 4.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.511 ' O ' ' CD ' ' A' ' 127' ' ' LYS . . . -62.87 -32.26 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -50.34 -34.54 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.62 ' O ' ' C ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -64.26 -57.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.82 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -57.76 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 123' ' ' ALA . 1.1 mptm? -42.67 -50.79 5.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.71 ' CE2' ' CD2' ' A' ' 117' ' ' LEU . 6.3 t80 -100.33 -90.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.74 HD13 ' CE2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -95.54 89.71 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 2.8 pp -48.61 -157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.18 -65.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.55 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -34.53 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.759 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 15.5 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.502 0.191 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.74 124.76 14.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' A' ' 3' ' ' PHE . 14.7 p90 -173.29 108.31 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -83.91 -42.7 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 6' ' ' THR . 4.5 mmmm -77.95 -11.64 59.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 5' ' ' LYS . 15.3 t 49.41 -160.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 81.63 133.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -45.98 94.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . 32.4 mtp85 61.52 137.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -89.26 134.35 33.15 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HG3' ' CD2' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -140.25 -51.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.64 ' CG2' ' CZ2' ' A' ' 113' ' ' TRP . 29.8 m -99.78 111.3 23.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.63 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.9 mm -100.89 115.15 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.9 OUTLIER -97.27 104.35 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -104.6 136.37 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.631 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -103.4 154.32 19.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.635 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -104.73 140.31 38.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.624 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -149.61 63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 53.0 155.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.765 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -168.31 -69.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.739 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -152.0 -127.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.673 ' C ' ' OE1' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -55.24 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 10.5 m120 -84.11 89.14 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.684 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.9 mm -43.27 -29.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.39 -45.26 26.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.81 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 t -65.84 -71.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.896 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -39.53 -34.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.765 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -47.08 -87.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.542 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 45.6 m -95.16 -47.63 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.4 mm? -36.9 -38.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.896 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 6.3 mm100 -78.75 -46.11 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' CD1' ' OE1' ' A' ' 131' ' ' GLN . 5.6 tp -51.8 -43.12 62.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.792 ' HA ' ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -78.86 -20.21 50.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -0.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -94.43 -74.98 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.84 -166.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 39' ' ' SER . 2.8 p -164.24 -145.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 94.62 106.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -46.15 121.96 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HB3' ' C ' ' A' ' 133' ' ' LYS . 2.5 mmt85 -151.1 -99.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.686 ' CZ ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -93.73 174.75 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.07 120.74 39.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.685 ' CG2' ' CE1' ' A' ' 42' ' ' PHE . 33.2 t -87.84 126.73 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.63 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -111.23 115.79 29.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -107.67 109.92 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -135.51 145.99 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.596 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 9.0 p30 -120.55 118.7 30.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.591 ' O ' HD13 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -168.31 163.64 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CD1' ' O ' ' A' ' 92' ' ' MET . 0.8 OUTLIER -71.76 114.53 29.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 14.8 p -57.68 146.76 29.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' GLN . 48.8 p90 -55.13 -24.01 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 107.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -45.97 -63.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -88.33 -30.72 19.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.663 ' CD2' ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -62.99 -23.7 67.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -45.65 -49.69 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.3 -54.27 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.502 ' CE ' ' CG1' ' A' ' 111' ' ' VAL . 3.9 mmt -65.84 -28.78 69.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -55.69 -41.91 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -39.25 80.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -84.38 51.39 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.06 145.66 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -35.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -88.83 -18.91 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.71 -99.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 -42.14 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t -45.86 -38.82 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -41.49 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.619 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 2.9 mm? -72.94 -55.38 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 2.4 mm100 -51.0 -32.28 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -78.79 -20.95 48.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.619 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -68.1 -40.04 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.664 HD11 ' CE1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -80.8 163.03 57.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -75.01 144.18 29.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.48 56.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -46.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 4.3 p-10 -40.49 -28.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 1.3 p -77.85 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.621 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 9.3 p -75.68 -32.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.828 ' N ' ' O ' ' A' ' 77' ' ' LEU . 1.1 tm? -59.73 -13.61 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' C ' HG23 ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.77 -103.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.592 ' CA ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -135.67 3.91 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -61.79 -141.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.625 ' CG ' HD12 ' A' ' 102' ' ' LEU . 2.0 m170 -30.53 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.892 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.76 -30.83 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.944 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -40.85 -158.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.944 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.08 26.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.599 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -94.88 -45.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.744 ' CD1' ' HB3' ' A' ' 97' ' ' CYS . 12.1 m-85 -106.83 -28.58 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.534 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -45.41 -101.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.763 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.51 -46.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.3 OUTLIER -128.64 102.34 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.667 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.22 -47.89 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.667 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -67.48 -25.18 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.744 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 47.8 t -98.66 -35.21 10.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.627 HG22 ' CE1' ' A' ' 90' ' ' PHE . 6.3 t -80.69 -26.62 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.76 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 172.35 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -58.25 -165.83 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.625 HD12 ' CG ' ' A' ' 85' ' ' HIS . 1.5 tt 37.64 -95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.613 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -145.99 140.11 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.439 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . 2.7 p30 -85.58 107.64 13.23 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.828 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -14.56 21.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.828 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 31.78 44.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 1.8 mm-40 -116.28 159.46 21.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.541 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . . . -111.89 128.64 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 1.9 mm? -94.15 117.0 29.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CZ3' ' HB2' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -105.65 130.22 53.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.678 HG12 ' CG2' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -157.07 131.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 110' ' ' TRP . 5.1 t70 -128.48 142.3 51.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.64 ' CZ2' ' CG2' ' A' ' 13' ' ' THR . 12.4 p-90 -125.77 18.35 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.619 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -92.02 -46.95 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.617 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.3 m-20 -116.8 21.17 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.617 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 19.6 pttt 54.6 53.33 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.692 ' HG ' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -131.07 141.29 50.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.678 ' CG2' HG12 ' A' ' 111' ' ' VAL . 95.6 t -148.63 169.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.616 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 176.92 151.08 8.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.1 p-10 -93.78 155.16 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER 81.39 156.35 0.12 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -75.02 -41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.92 -26.65 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.63 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -55.84 -49.67 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -49.27 -54.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.679 ' HA ' ' CB ' ' A' ' 130' ' ' ILE . 1.1 t0 -50.85 -46.72 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.82 -55.16 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.505 ' HB3' HD12 ' A' ' 129' ' ' ILE . 20.4 m-30 -87.76 -81.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -119.71 87.34 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.903 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.67 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.903 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -54.8 2.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.69 ' H ' ' C ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -167.37 71.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.497 ' C ' ' HB3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.498 0.19 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 84.4 p -138.84 91.77 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 2' ' ' SER . 12.3 m-85 -152.19 58.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -40.8 20.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.046 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' CB ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -77.53 -41.19 40.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' HB ' ' CE ' ' A' ' 133' ' ' LYS . 7.3 t -98.28 152.72 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -114.48 -16.75 11.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' CB ' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -179.49 89.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 0.1 OUTLIER 65.81 132.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 -89.25 128.26 52.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HG3' ' OH ' ' A' ' 128' ' ' TYR . 18.5 Cg_endo -75.0 -158.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.5 -43.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.413 ' OG1' ' OE1' ' A' ' 114' ' ' GLU . 39.4 m -103.28 114.54 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.682 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 6.0 mm -101.97 113.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.95 106.15 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 2.5 mm? -110.99 126.04 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.911 ' CE1' ' O ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -99.69 133.32 44.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.911 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.1 m -91.89 144.6 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' A' ' 105' ' ' PRO . 59.8 t30 -140.91 54.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.792 ' C ' HG13 ' A' ' 21' ' ' ILE . 21.1 t70 64.57 168.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.792 HG13 ' C ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 179.17 -91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -138.93 -135.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 22' ' ' ALA . 53.2 m -33.02 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.711 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -87.18 92.89 9.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.772 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.3 mp -42.84 -36.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.6 -58.42 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.737 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -60.61 -67.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.698 ' C ' HD11 ' A' ' 21' ' ' ILE . 33.0 tp60 -40.05 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.734 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.586 ' CB ' HD11 ' A' ' 34' ' ' LEU . 2.8 m -79.83 -57.09 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 108.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -33.1 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 31.1 mm-40 -79.19 -50.32 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -54.08 -49.51 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.718 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -71.0 -17.19 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.0 tttp -59.89 -6.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.89 -59.8 6.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 63.0 m-20 -159.14 74.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.5 176.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER 177.12 -46.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 162.32 -99.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.662 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.779 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.2 mmp_? 63.94 -64.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.779 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -138.13 175.48 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.65 116.35 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t -91.65 136.23 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.97 113.9 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.632 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.81 101.4 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.65 143.77 39.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 7.7 p30 -104.86 116.59 32.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.809 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -165.87 155.44 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 94' ' ' LEU . 35.7 t80 -73.77 136.26 77.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.05 65.62 6.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.0 p -58.96 143.38 48.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 1.6 m95 -55.1 -27.02 41.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -58.82 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.43 -51.61 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.541 ' HG ' ' CD1' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.04 -23.85 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.546 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -42.54 -26.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.0 m-85 -67.95 -51.93 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.532 ' CG ' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -75.54 -29.81 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' CB ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -54.01 -39.87 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.53 -45.97 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -56.85 -46.96 81.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -127.12 139.57 35.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.14 4.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . 1.2 mt-30 -97.06 13.08 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -58.92 -41.49 96.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -74.97 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 65' ' ' GLN . 3.0 p -47.42 -30.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -67.27 -37.01 82.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -76.37 -53.85 7.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 1.2 mt-30 -50.49 -37.79 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -82.01 -17.4 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.616 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -84.71 141.67 38.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.3 Cg_endo -75.01 59.69 5.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 178.21 37.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.857 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -44.3 -61.5 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 6.6 t70 -40.63 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.493 ' N ' ' C ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.07 -58.1 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.932 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 7.7 p -81.15 -43.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.857 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -55.95 -5.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.555 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -127.67 -97.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.582 ' C ' HG21 ' A' ' 86' ' ' THR . 10.7 m-85 -168.94 8.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.732 ' O ' ' N ' ' A' ' 86' ' ' THR . 4.1 ttpp -55.48 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.632 ' O ' ' CG2' ' A' ' 89' ' ' THR . 18.4 m-70 -36.96 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.108 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.3 t -53.44 -16.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.113 ' HB2' ' HD2' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -31.88 -141.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.113 ' HD2' ' HB2' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.07 19.26 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.632 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.1 t -80.0 -49.53 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CD1' ' HB2' ' A' ' 97' ' ' CYS . 8.5 m-85 -102.0 -27.84 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -44.67 174.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.585 ' CE ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 37.01 -78.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.019 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -112.37 102.91 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -83.54 -30.31 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.65 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -45.24 -27.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -66.11 -32.09 73.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.663 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 16.7 m -97.18 -49.88 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.5 ' CG2' ' OD1' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -57.19 -33.37 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.675 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -41.44 -24.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 149.75 -16.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.722 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -56.96 -161.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.563 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER 26.99 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.877 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -140.72 151.19 44.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER -86.98 99.92 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.877 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.06 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.717 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 172.81 32.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 20.3 mm-40 -107.06 149.63 27.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.648 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . . . -128.89 129.23 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.579 ' CD1' ' HD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -122.9 127.86 49.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 3.9 p-90 -101.66 138.46 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' SER . 13.7 m -148.68 115.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.522 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -99.26 150.24 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 7.1 t90 -123.23 6.0 9.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -88.2 -46.25 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.573 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 12.3 m-20 -113.76 19.41 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 9.6 ptpt 53.04 53.87 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.644 HD13 ' CD1' ' A' ' 128' ' ' TYR . 2.0 mt -113.78 139.15 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 59' ' ' MET . 17.1 t -148.32 155.14 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.99 113.51 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 7.7 p-10 -68.85 -175.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER 77.8 146.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 18.2 Cg_endo -75.06 -41.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.24 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.711 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 1.6 t0 -59.2 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -51.19 -51.97 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -49.21 -53.72 20.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 32.9 mmtt -57.67 -55.94 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 129' ' ' ILE . 2.9 t80 -67.88 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.949 HG13 ' CD2' ' A' ' 128' ' ' TYR . 1.2 pp -137.61 92.7 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -54.91 -163.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.784 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -53.72 -50.44 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.691 ' HG3' HD12 ' A' ' 130' ' ' ILE . 2.9 ptp180 -103.2 57.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.712 ' CA ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -147.32 -65.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 60.54 131.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -71.47 -46.99 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 107.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.468 ' HG2' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -86.71 -47.92 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER 60.19 126.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.437 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -179.36 -173.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -108.41 92.27 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 64.1 123.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -69.91 134.23 87.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.06 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 48.6 mtt-85 -134.96 -68.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -89.79 118.6 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.716 ' CG2' ' CZ3' ' A' ' 110' ' ' TRP . 5.6 mm -98.21 110.94 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.518 ' CB ' HG21 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -100.69 103.36 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.585 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -115.97 146.86 41.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-85 -123.73 150.87 43.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.634 ' OG1' ' HD2' ' A' ' 29' ' ' LYS . 1.2 m -99.07 139.8 34.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.7 t-20 -144.52 64.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.715 ' CB ' ' HD2' ' A' ' 105' ' ' PRO . 9.7 t0 55.73 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.804 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -177.85 -91.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -137.93 -139.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.3 m -31.31 -92.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.676 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 31.2 m120 -82.54 101.44 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.665 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 11.6 mm -47.83 -35.48 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.809 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -82.62 -58.49 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.745 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -57.43 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.766 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 46.8 tp60 -39.93 -32.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.809 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -55.18 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.752 ' O ' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -93.71 -53.65 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 108.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.745 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 2.6 mm? -33.35 -42.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.766 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.0 mm100 -81.69 -30.85 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -69.95 -51.38 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.594 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -77.25 -9.93 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -50.94 -14.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -68.34 -77.23 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 131' ' ' GLN . 1.5 m-20 -120.07 173.84 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -178.85 158.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.619 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.7 t 149.28 167.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.1 m80 -37.52 105.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.55 ' HG3' ' HD2' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -158.15 -66.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.686 ' CD2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -162.21 169.07 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -98.15 119.05 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 ' CD2' ' A' ' 34' ' ' LEU . 12.9 t -93.93 126.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -101.19 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.573 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -108.98 105.16 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.63 136.82 33.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 95' ' ' GLN . 0.4 OUTLIER -92.41 117.42 29.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' C ' HD21 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -167.67 161.17 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 10.3 t80 -72.81 133.44 82.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 62.21 5.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.546 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 30.3 p -59.88 128.29 36.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.744 ' O ' ' N ' ' A' ' 57' ' ' GLN . 4.7 m-90 -61.88 -16.69 52.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.82 -56.29 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -42.81 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -66.2 -18.17 65.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' TRP . 20.5 tp60 -39.17 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LEU . 23.1 m-85 -71.09 -52.77 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -76.5 -35.42 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -54.73 -23.95 20.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -86.92 -44.96 11.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -67.74 -19.39 65.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -127.0 132.65 24.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.317 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.87 4.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 69' ' ' SER . 8.8 mt-30 -95.74 12.09 31.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.557 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.88 -47.36 91.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.107 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -75.0 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 4.2 m -48.29 -29.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 6.0 t -67.05 -33.81 76.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 53' ' ' TRP . 1.9 mt -75.52 -52.79 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -38.36 87.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.9 mmm180 -80.66 -16.32 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -68.87 -40.76 79.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.632 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -74.02 166.6 43.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB2' ' CE3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -74.93 -64.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 59.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.892 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.97 -60.5 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.34 -27.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.516 ' C ' ' HB ' ' A' ' 86' ' ' THR . 1.0 OUTLIER -78.6 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.882 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.5 p -79.03 -30.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.892 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -59.77 -9.37 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -132.35 -88.33 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.617 ' HA ' ' CG2' ' A' ' 86' ' ' THR . 3.2 t80 -173.87 9.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.741 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.25 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.2 m-70 -36.42 -18.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.125 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.4 t -52.47 -15.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.202 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 0.8 OUTLIER -31.12 -143.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.202 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -74.99 18.7 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.3 t -79.49 -49.77 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.646 ' CE1' ' HB3' ' A' ' 97' ' ' CYS . 2.4 m-85 -100.47 -21.45 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.749 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -44.94 -174.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.628 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 28.88 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.628 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.4 m-20 -108.53 102.25 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.637 HD13 ' CE1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.18 -27.32 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.78 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 36.2 tp60 -48.15 -31.17 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 19.2 mmtp -62.1 -35.1 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.646 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.0 m -88.3 -26.46 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 100' ' ' ARG . 65.8 t -75.8 -16.22 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.78 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 1.8 mm-40 -46.22 -12.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.77 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 122.91 10.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -90.41 -122.94 2.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.1 OUTLIER 2.31 -79.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.809 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -143.61 165.0 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -103.57 86.16 1.1 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.809 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.99 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -157.76 39.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 4.1 mm-40 -119.79 152.58 37.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.0 142.88 46.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.14 132.62 51.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.753 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 2.7 t-105 -128.77 122.61 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.536 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 34.6 m -140.2 131.02 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.753 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -112.69 133.93 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.69 3.85 25.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.55 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.6 tp10 -91.05 -52.62 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.659 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -116.95 18.24 14.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 51.81 54.79 10.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 2.6 tp -114.58 111.5 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 111' ' ' VAL . 2.8 m -136.75 165.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.42 5.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 9.8 p-10 -83.91 160.7 21.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 86.88 151.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.501 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -74.94 -41.06 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.46 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.757 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -53.63 -40.91 66.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.585 HG21 ' HA ' ' A' ' 130' ' ' ILE . 1.4 mt -54.66 -58.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.728 ' HA ' ' CG2' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -47.68 -43.55 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -47.47 -55.73 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.757 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -91.47 -76.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.715 HD11 ' CE2' ' A' ' 110' ' ' TRP . 1.3 pp -119.96 95.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.728 ' CG2' ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -59.92 -158.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.619 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.4 mp0 -53.51 -44.97 69.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.639 ' O ' HD12 ' A' ' 130' ' ' ILE . 6.4 tmm_? -112.19 93.94 4.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.649 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 1.9 tmtp? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.521 0.2 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -135.98 105.09 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -93.78 60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -81.3 -50.02 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.657 ' HG3' ' C ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -86.34 -12.66 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.87 127.46 35.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.29 131.46 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ARG . 1.4 tp60 46.33 -160.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -35.81 138.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.87 127.11 92.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' HB3' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 148.67 35.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -120.39 -88.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.747 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 m -90.57 120.66 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.718 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 mm -96.99 121.78 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.8 105.08 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' CD2' HD13 ' A' ' 125' ' ' ILE . 1.3 mm? -108.08 139.14 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.572 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.4 m-85 -111.8 158.21 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.605 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 1.8 m -106.08 141.0 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.57 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 m-80 -148.78 71.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER 51.15 163.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.764 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 179.99 -98.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.46 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.646 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.5 t 15.68 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.633 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -90.31 98.35 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.725 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.66 -31.05 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.7 -56.96 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 m -55.77 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.723 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 6.1 tp-100 -45.15 -30.95 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.764 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.02 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' LEU . 2.9 m -95.12 -50.57 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.0 mm? -34.51 -40.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.723 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 5.5 mm-40 -79.69 -44.86 20.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.6 OUTLIER -52.81 -41.3 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.758 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.63 -23.55 49.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -8.8 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.25 -50.79 3.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HB2' ' CG ' ' A' ' 131' ' ' GLN . 21.6 m-20 -106.42 -100.11 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 1.5 p -176.06 168.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.624 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 87.4 p -128.59 153.99 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.638 ' O ' ' C ' ' A' ' 41' ' ' ARG . 3.6 m170 172.07 -98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.738 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -14.64 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CE2' ' C ' ' A' ' 131' ' ' GLN . 3.5 p90 -106.24 165.72 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.56 132.2 48.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG22 ' CE1' ' A' ' 42' ' ' PHE . 36.5 t -87.88 137.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -104.67 113.07 26.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -112.8 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.75 137.21 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.646 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -103.94 116.84 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -165.56 155.59 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.73 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.32 110.17 6.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 49' ' ' ARG . 18.3 Cg_endo -74.99 60.98 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.73 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.12 145.45 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.719 ' CZ3' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.89 -25.65 65.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -45.84 -59.64 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' O ' ' HD1' ' A' ' 58' ' ' TYR . 1.2 mt-30 -86.17 -41.17 14.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.697 ' C ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -51.19 -20.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -39.22 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.816 ' CE2' ' CE2' ' A' ' 113' ' ' TRP . 8.1 p90 -71.66 -45.4 62.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.708 ' SD ' ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -76.8 -33.22 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' CB ' HD11 ' A' ' 56' ' ' LEU . 15.9 ttt180 -55.8 -20.08 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -88.75 -45.98 9.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -62.99 -11.76 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -161.48 141.5 7.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -29.63 8.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . 3.6 mt-30 -96.73 11.38 35.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -47.31 -53.17 12.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 -49.03 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -48.96 -31.34 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -67.79 -34.33 76.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 1.6 mt -73.54 -46.8 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.719 ' NE2' ' CZ3' ' A' ' 53' ' ' TRP . 4.3 mm-40 -65.53 -42.85 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.464 ' HD2' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -73.95 -18.34 60.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.53 ' HG3' ' CD2' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -64.88 -41.91 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -64.29 173.05 1.63 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.696 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.01 -41.47 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 80' ' ' VAL . 3.6 mtpt -109.46 87.84 2.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.844 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -67.75 -61.1 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -40.95 -27.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.525 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.35 -61.58 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.693 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 7.1 p -79.14 -31.86 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.844 ' N ' ' O ' ' A' ' 77' ' ' LEU . 1.0 OUTLIER -57.95 -15.49 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -114.54 -100.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.654 ' C ' ' CG2' ' A' ' 86' ' ' THR . 1.1 t80 -142.7 4.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 tttt -63.42 -139.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.594 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 8.6 m170 -28.56 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.911 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.35 -29.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.997 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.59 -158.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.97 20.69 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.627 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -88.38 -43.93 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.752 ' O ' ' O ' ' A' ' 91' ' ' GLY . 9.4 m-85 -104.59 -20.66 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.35 -140.44 0.0 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.679 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -17.39 -50.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.646 ' N ' ' O ' ' A' ' 91' ' ' GLY . 2.1 m-20 -115.69 104.65 11.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.59 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -91.64 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.738 ' O ' ' N ' ' A' ' 99' ' ' GLN . 60.7 mm-40 -52.87 -27.93 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.605 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 2.1 mmmm -59.44 -29.87 68.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.702 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 42.2 t -104.09 -41.54 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -75.73 -16.12 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 95' ' ' GLN . 1.6 pt20 -35.28 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' VAL . 10.4 tpt180 158.07 -21.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -64.07 -148.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.585 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 29.35 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.696 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -141.63 153.13 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.1 p30 -86.38 108.82 19.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.5 Cg_endo -75.01 -32.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.19 30.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 105' ' ' PRO . 28.9 mt-10 -113.97 153.84 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.589 ' CA ' ' HE2' ' A' ' 29' ' ' LYS . . . -115.26 133.7 55.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' HB2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -91.58 115.26 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.82 ' CZ2' ' CE2' ' A' ' 128' ' ' TYR . 5.9 p-90 -102.74 119.39 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.504 ' HB ' ' CE ' ' A' ' 59' ' ' MET . 4.0 m -145.41 130.64 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.818 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -122.74 142.17 51.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.816 ' CE2' ' CE2' ' A' ' 58' ' ' TYR . 2.0 m95 -98.14 -95.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' H ' ' HB2' ' A' ' 113' ' ' TRP . 29.0 mt-10 -46.64 -14.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.818 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -87.75 -4.99 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER 44.43 38.69 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -138.21 123.6 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.64 ' C ' ' CZ2' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -143.84 159.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.572 ' HA3' ' NE1' ' A' ' 110' ' ' TRP . . . 169.97 -167.3 40.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.9 t30 -128.56 163.65 24.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.0 mt-10 91.87 143.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.641 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.57 -39.89 74.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.573 HD13 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.64 -55.44 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.851 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -52.14 -45.95 65.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -50.99 -60.4 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.82 ' CE2' ' CZ2' ' A' ' 110' ' ' TRP . 36.3 m-85 -79.15 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.804 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.4 OUTLIER -132.94 97.46 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.851 ' HA ' ' HA ' ' A' ' 126' ' ' ASP . 0.5 OUTLIER -43.65 -125.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.664 ' C ' ' CE2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -104.9 -24.94 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.738 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -125.85 -7.26 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.657 ' C ' ' HG3' ' A' ' 5' ' ' LYS . 4.2 tptm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.46 0.171 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER 173.61 143.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 2' ' ' SER . 38.1 m-85 -167.19 171.55 10.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -76.97 -47.16 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HD3' HG13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -82.67 -19.91 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 8.8 t 38.08 -148.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 128' ' ' TYR . 0.2 OUTLIER 90.06 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' ARG . 25.1 tp60 -43.12 139.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 59.08 134.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.21 129.04 53.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.658 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.04 138.42 22.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.584 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 8.1 mtt180 -111.31 -49.3 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.599 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 31.0 m -123.89 117.92 25.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.678 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 6.4 mm -93.2 108.75 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 19.5 m -102.53 96.19 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' CD2' HG21 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -102.96 143.49 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.648 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 70.8 m-85 -121.11 153.44 37.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.6 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 1.2 m -97.35 141.76 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' C ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -146.62 74.41 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 21' ' ' ILE . 6.2 t0 67.23 -179.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.925 ' HB ' ' HA ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER 167.15 -76.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' N ' HG23 ' A' ' 21' ' ' ILE . . . 170.45 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 t -66.0 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.647 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.9 m-20 -113.28 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.925 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 2.2 mp -58.84 -41.26 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 0.0 OUTLIER -72.25 -53.62 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.919 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -61.31 -70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 2.7 tt0 -42.71 -40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.791 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -42.36 -82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -98.26 -52.85 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.919 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -32.25 -44.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 12.3 mm-40 -79.0 -44.65 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.93 -44.45 63.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD11 ' CA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -80.1 -19.24 47.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' GLN . 10.4 tttt -59.04 -12.23 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.12 -90.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' NE2' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -92.71 -161.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 39' ' ' SER . 0.7 OUTLIER -141.84 153.69 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER 173.29 -146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.565 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 0.8 OUTLIER 158.75 117.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -171.44 -36.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.931 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -106.35 171.4 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.37 122.85 47.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.714 ' HB ' ' CZ ' ' A' ' 42' ' ' PHE . 9.6 p -102.18 140.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -123.53 114.33 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.514 HG23 ' CD ' ' A' ' 29' ' ' LYS . 3.0 mp -111.77 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.648 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.82 137.58 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 10.6 p30 -91.78 123.04 34.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.6 mmt-85 -162.38 159.77 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.73 ' CB ' ' HB3' ' A' ' 94' ' ' LEU . 54.0 p90 -80.87 112.7 34.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD2' ' HG ' ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.07 68.13 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.583 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.99 151.08 36.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.516 ' O ' ' N ' ' A' ' 57' ' ' GLN . 9.5 p90 -68.45 -23.96 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.03 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -56.69 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.86 -42.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.614 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.53 -23.23 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -42.63 -27.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' LEU . 14.3 m-85 -74.09 -54.98 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.484 ' HG2' ' CG2' ' A' ' 118' ' ' VAL . 1.6 mtt -71.84 -33.42 68.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -50.89 -38.01 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -73.49 -42.59 61.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -86.32 15.09 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.1 t -139.46 135.64 17.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 108.239 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.31 3.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -80.82 -22.74 39.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 60' ' ' ARG . . . 35.45 -119.78 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -34.75 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.555 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -46.81 -30.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -74.74 -45.92 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.614 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.4 mm? -69.16 -48.7 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 13.8 mm-40 -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 5.5 mmt180 -59.48 -21.32 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 2.2 tp-100 -73.07 -38.24 66.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.719 HD12 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -81.95 164.33 49.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.573 ' CG ' ' CB ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.04 131.51 14.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' HD3' ' CB ' ' A' ' 79' ' ' SER . 12.2 tttt 79.44 63.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.44 -62.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.637 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.9 p-10 -44.54 -25.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.4 -61.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.601 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 7.2 p -75.47 -38.91 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.828 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -55.08 -16.13 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' HG22 ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.25 -106.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.657 ' C ' ' CG2' ' A' ' 86' ' ' THR . 5.6 m-85 -135.38 3.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -62.21 -143.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.628 ' CG ' HD13 ' A' ' 102' ' ' LEU . 28.4 m170 -27.84 -32.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.92 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.77 -27.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.92 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -40.18 -157.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.913 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 26.54 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.599 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -94.37 -43.1 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.719 ' CZ ' HD12 ' A' ' 74' ' ' ILE . 13.8 m-85 -105.38 -29.92 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.609 ' C ' ' HE3' ' A' ' 92' ' ' MET . . . -47.38 -105.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.789 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -30.67 -51.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.713 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -127.14 101.32 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.73 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -102.0 -23.02 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.764 ' CB ' ' HG3' ' A' ' 99' ' ' GLN . 0.6 OUTLIER -71.45 -63.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 100' ' ' ARG . 10.2 mmmm -48.94 -21.85 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.65 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -89.57 -54.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 20' ' ' ASP . 29.3 t -77.4 -60.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.764 ' HG3' ' CB ' ' A' ' 95' ' ' GLN . 28.4 mm-40 -45.24 -19.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 176.02 85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . 161.57 171.81 28.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 46.26 -92.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CB ' ' CG ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -142.98 154.77 44.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 107.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.451 ' HB3' ' CG ' ' A' ' 20' ' ' ASP . 6.0 m-20 -101.8 105.67 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.787 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.93 -7.86 19.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.787 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.7 54.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 9.7 mm-40 -139.83 158.56 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.76 136.32 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -91.48 135.77 33.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.674 ' CE3' ' OD1' ' A' ' 112' ' ' ASP . 13.9 p-90 -125.96 118.02 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.4 OUTLIER -134.6 133.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.733 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -129.94 133.31 46.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.64 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER -102.05 -77.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' OE1' ' HB ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -54.5 -0.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.733 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.94 -12.06 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 5.9 ptmt 51.83 36.2 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -135.58 120.78 18.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.602 ' O ' ' CZ2' ' A' ' 110' ' ' TRP . 47.6 t -133.14 168.88 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.613 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 160.22 165.2 16.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.647 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 16.1 p-10 -118.61 114.14 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 148.36 145.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.98 -30.62 7.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.59 -26.95 67.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.643 ' OD2' ' CD1' ' A' ' 110' ' ' TRP . 56.6 m-20 -56.24 -51.81 66.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -53.31 -54.28 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.746 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 4.7 t70 -51.19 -56.33 13.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -52.83 -51.25 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.781 ' CD2' ' CD1' ' A' ' 129' ' ' ILE . 1.1 t80 -82.16 -87.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -116.12 91.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 129' ' ' ILE . 1.8 pp -41.52 -133.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.694 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.82 -55.93 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.931 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -151.94 116.57 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.54 ' O ' ' CD ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.473 0.177 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -142.2 73.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -38.4 115.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.62 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 6' ' ' THR . 1.7 mmpt? -72.1 -25.65 61.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' O ' ' A' ' 5' ' ' LYS . 37.3 p 45.85 100.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER 174.5 97.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -46.04 165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 32.03 87.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.65 134.76 57.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.539 ' HB3' ' HB2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.617 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 7.5 ttt-85 -144.26 -54.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.7 m -93.95 112.7 24.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.778 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.7 mm -100.89 112.81 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.569 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 14.9 t -98.69 100.63 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' CD1' HD13 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -103.84 134.41 47.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.663 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 30.5 m-85 -104.01 154.18 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.638 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.8 m -97.3 143.31 28.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.2 m120 -149.25 39.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.627 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 8.5 t0 54.54 154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.821 ' HA ' ' HA ' ' A' ' 106' ' ' LYS . 0.1 OUTLIER -162.71 -41.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' H ' HD13 ' A' ' 21' ' ' ILE . . . -172.8 -133.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ALA . 5.6 t -36.41 -89.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.723 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -81.94 101.19 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.627 ' CG2' ' HA ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -44.45 -46.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -78.62 -63.26 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.811 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -49.24 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.861 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 5.2 tp-100 -40.48 -32.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.821 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -55.81 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.9 t -93.17 -53.19 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' C ' ' A' ' 27' ' ' SER . 2.7 mm? -32.95 -36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.861 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.3 mm100 -82.35 -42.68 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.644 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -58.6 -45.73 88.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HB3' ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -75.23 -18.67 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 54.5 tttt -56.77 -12.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -74.35 -92.52 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 22.4 m-20 -78.68 -167.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 37' ' ' ASP . 2.1 t -165.57 152.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER 170.16 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 41' ' ' ARG . 11.3 p-80 -122.89 -111.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER 76.3 -69.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.5 175.96 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.12 139.12 34.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 46' ' ' ILE . 92.5 t -90.06 142.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.778 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -98.97 116.79 32.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.561 ' CG2' ' NZ ' ' A' ' 29' ' ' LYS . 2.1 mp -117.72 97.91 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -146.7 143.55 28.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.542 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 5.2 p30 -85.49 123.57 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.0 tpt180 -132.85 152.07 51.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.733 ' HA ' ' CB ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.86 141.2 54.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.01 59.28 5.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.591 HG23 ' CD1' ' A' ' 50' ' ' PHE . 52.8 p -100.83 128.37 46.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.614 ' O ' ' N ' ' A' ' 57' ' ' GLN . 21.9 p90 -71.84 -19.79 61.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 37.1 t0 -50.65 -57.46 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -82.18 -51.02 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.672 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -61.03 -13.85 19.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 53' ' ' TRP . 5.5 tt0 -36.68 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.9 t80 -64.81 -56.15 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.594 ' HE3' ' CE2' ' A' ' 113' ' ' TRP . 3.6 mmt -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CG ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -58.97 -39.98 83.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.432 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -65.77 -44.96 84.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 p -87.63 43.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -175.28 138.68 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 108.319 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -92.26 11.02 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.632 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -12.39 -94.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 18.4 Cg_endo -74.98 -28.37 9.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 14.0 t -43.98 -52.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 21.4 m -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HB3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -70.81 -53.41 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -65.43 -54.84 22.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -55.14 -22.62 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 69' ' ' SER . 2.8 mm100 -69.61 -42.03 74.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -66.81 169.89 7.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.609 ' N ' HG21 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 21.9 mmtt -89.01 56.45 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.51 -63.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.622 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 9.6 t70 -39.49 -28.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -82.08 -59.08 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.675 ' CG2' ' HB ' ' A' ' 86' ' ' THR . 5.2 p -75.81 -24.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.883 ' N ' ' O ' ' A' ' 77' ' ' LEU . 5.3 tp -63.39 4.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -140.4 -102.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.68 ' C ' ' CG2' ' A' ' 86' ' ' THR . 92.1 m-85 -136.21 1.12 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.95 -139.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' CE1' ' HE3' ' A' ' 84' ' ' LYS . 34.7 m170 -31.05 -31.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.916 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.38 -29.14 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.916 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -38.74 -160.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.99 25.04 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -96.34 -42.19 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -105.53 -28.78 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.693 ' C ' ' HE3' ' A' ' 92' ' ' MET . . . -49.65 -116.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.718 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -25.35 -48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.634 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -122.18 101.84 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.733 ' CB ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.43 -56.18 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.572 ' N ' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -55.54 -29.38 58.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 15.1 mmmt -61.84 -28.48 69.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.685 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.2 m -96.47 -47.09 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.564 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 2.7 t -63.01 -33.09 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.645 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.31 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 152.55 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -54.45 -107.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -28.7 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.679 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -143.59 158.36 43.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.6 p-10 -105.25 91.48 4.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.821 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -150.06 59.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -141.18 150.18 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.53 126.26 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.37 128.67 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ3' ' CE2' ' A' ' 128' ' ' TYR . 18.5 p-90 -106.41 142.34 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 15' ' ' SER . 0.5 OUTLIER -158.46 127.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.573 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -128.95 140.62 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.594 ' CE2' ' HE3' ' A' ' 59' ' ' MET . 0.4 OUTLIER -115.37 12.51 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.617 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -91.43 -46.65 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -113.14 20.1 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 53.12 41.81 32.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.682 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -109.73 130.36 55.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.691 ' N ' ' CH2' ' A' ' 110' ' ' TRP . 24.5 t -144.26 150.82 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 174.6 -162.0 31.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 73' ' ' GLN . 10.9 p-10 -137.45 -175.6 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 2.2 tt0 77.94 142.02 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.91 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.439 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -67.6 -27.66 67.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.734 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -54.72 -47.2 74.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 129' ' ' ILE . 6.5 mt -50.75 -53.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 2.3 t0 -50.45 -54.27 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.41 -55.83 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.878 ' CG ' HG13 ' A' ' 129' ' ' ILE . 1.4 t80 -66.39 -79.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.878 HG13 ' CG ' ' A' ' 128' ' ' TYR . 1.1 pp -144.17 85.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.924 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -43.15 169.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.924 ' N ' HG12 ' A' ' 130' ' ' ILE . 5.8 pt20 -36.71 -45.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.705 ' CG ' ' N ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -73.82 -60.62 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.705 ' N ' ' CG ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 160.35 174.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 39.94 58.81 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.69 -45.69 15.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' HE3' HD11 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -69.99 -44.96 68.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.523 ' CG2' ' CD ' ' A' ' 11' ' ' PRO . 19.6 p -133.16 107.08 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -38.26 -46.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -144.9 129.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 0.8 OUTLIER 59.88 134.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' HA ' HG21 ' A' ' 6' ' ' THR . 6.2 mp0 -92.57 128.61 43.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 18.3 Cg_endo -75.01 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -146.74 -41.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 m -109.11 117.08 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.669 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.0 mm -99.31 114.2 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' HG21 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.22 99.73 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 3.4 tp -118.94 124.7 47.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.3 m-30 -96.73 153.29 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.558 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -105.81 144.09 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.525 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -141.35 71.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.782 ' C ' HG13 ' A' ' 21' ' ' ILE . 10.3 t70 50.12 170.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.782 HG13 ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -179.54 -97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -131.27 -144.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.6 t -24.1 -84.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.731 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -89.43 94.83 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.725 ' O ' HD13 ' A' ' 21' ' ' ILE . 1.3 mp -42.33 -36.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 0.0 OUTLIER -85.43 -60.61 1.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.731 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -54.41 -68.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.77 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 36.2 tp60 -43.51 -26.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.697 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -57.4 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.621 ' SG ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -95.27 -50.97 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 108.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.699 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.1 mm? -36.61 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.77 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 21.5 mm-40 -79.83 -49.46 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 34' ' ' LEU . 3.5 tp -59.28 -48.87 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.75 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -74.49 -12.94 60.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -55.01 -11.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -60.85 -100.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -91.98 -173.66 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 1.0 OUTLIER 171.99 157.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.2 p 156.19 171.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -36.79 131.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.574 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.761 ' CG ' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tpm_? 175.0 -144.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.761 ' CE1' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -93.24 173.82 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.6 129.71 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' HB ' ' HE3' ' A' ' 133' ' ' LYS . 0.7 OUTLIER -95.47 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -109.52 116.13 31.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.525 ' CD1' HD21 ' A' ' 16' ' ' LEU . 6.0 mm -113.97 101.39 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -142.8 141.27 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -106.59 119.81 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 ptt180 -163.8 158.85 20.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.662 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.2 OUTLIER -68.44 110.44 5.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 49' ' ' ARG . 18.4 Cg_endo -75.0 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.662 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -58.54 155.31 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -60.15 -24.05 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -62.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.6 -36.61 20.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.554 ' CD2' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -62.65 -18.02 61.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.7 m-85 -62.71 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.554 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -78.28 -31.33 48.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' CB ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.07 -28.5 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -89.48 -46.58 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 m -61.96 -27.58 68.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -130.93 141.7 42.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 27.1 tt0 -96.95 10.9 37.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -46.7 -50.99 13.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.3 Cg_endo -75.04 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.472 ' HB ' ' CG ' ' A' ' 65' ' ' GLN . 3.2 t -48.56 -31.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -62.02 -32.0 72.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' ' HG ' ' A' ' 56' ' ' LEU . 1.1 mm? -75.83 -52.47 10.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 1.6 mt-30 -57.49 -39.09 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HA ' ' CG ' ' A' ' 77' ' ' LEU . 1.4 mmm180 -82.16 -20.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -74.49 -40.4 61.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.234 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.641 HD12 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.3 165.82 47.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.93 177.7 8.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HB3' ' CB ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 39.31 62.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.54 -25.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -77.55 -59.55 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.994 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.81 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 6.4 p -82.93 -33.14 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.842 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -54.54 -5.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -127.4 -92.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.573 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -165.84 13.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.722 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.56 -150.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.658 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.2 m80 -35.57 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.064 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -51.11 -18.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.113 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -34.15 -143.49 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.113 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 19.37 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -79.11 -49.07 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.738 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.3 m-85 -97.07 -19.87 18.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.738 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.9 -147.34 0.0 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.671 ' C ' ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -4.47 -65.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER -110.41 106.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' HB3' ' CA ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -90.11 -54.05 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.643 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -50.33 -25.69 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.1 mmmm -66.58 -28.08 68.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.721 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -100.33 -41.31 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -73.52 -25.23 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.643 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.41 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 163.22 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LEU . . . -46.08 -96.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -35.26 -92.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.661 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -149.37 155.8 41.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 108.028 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 2.1 p-10 -95.64 102.43 10.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.718 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -9.71 20.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.815 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.04 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -104.79 151.69 23.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 29' ' ' LYS . . . -115.04 129.62 56.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 20.3 mt -103.55 114.03 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.72 ' CZ2' ' CG ' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -110.27 131.95 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 18.8 m -156.48 127.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' LEU . 4.4 m-20 -105.9 144.33 32.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 2.2 t90 -116.75 4.84 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.592 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 3.5 mm-40 -90.64 -44.75 9.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -114.15 19.24 16.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.26 50.16 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 128' ' ' TYR . 1.9 mt -108.53 142.56 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' LEU . 3.2 t -150.02 143.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . -178.24 128.72 1.31 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.8 p-10 -87.75 175.85 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 83.55 144.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.472 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.99 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.25 -28.94 70.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 2.7 t0 -62.77 -38.51 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.44 -58.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.743 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 3.8 t0 -48.51 -54.19 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 14.1 mmtp -50.77 -49.63 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.72 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 33.5 m-85 -86.78 -90.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -110.77 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.845 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -75.16 -169.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.845 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.33 -50.83 28.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.688 ' HG2' ' CD1' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -46.16 -21.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.661 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.535 0.207 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 4' ' ' TRP . 88.2 p -166.98 -64.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -39.0 96.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 2' ' ' SER . 4.3 m0 -83.9 -36.59 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HG2' ' HA ' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -84.3 -18.88 34.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.6 m -127.5 52.32 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.08 113.42 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.33 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' GLN . 83.9 mtt180 56.5 115.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 133' ' ' LYS . 2.5 pm0 -89.04 134.81 32.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 14' ' ' ILE . 18.2 Cg_endo -75.01 131.56 14.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 4.7 ttp180 -71.16 -29.44 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.4 m -123.95 115.79 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.783 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm -100.88 125.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.06 98.54 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.668 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -109.6 128.33 55.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' HB2' ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -97.84 154.44 17.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.671 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 95.2 m -102.1 140.01 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -136.94 43.04 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.664 ' O ' ' HA ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 52.63 158.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.762 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -156.43 -81.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -129.13 -137.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ALA . 36.8 m -38.21 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.718 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.0 m120 -83.67 103.89 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.762 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp -59.4 -42.27 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -76.55 -50.48 13.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.881 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.93 -69.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.858 ' O ' ' CG ' ' A' ' 32' ' ' GLN . 12.3 tp-100 -40.33 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.715 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -54.55 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.601 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.9 t -89.75 -46.44 8.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.881 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.2 mm? -37.73 -40.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.858 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 2.9 pp0? -69.08 -42.85 75.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -59.42 -55.23 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.679 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.31 -14.92 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -56.47 -8.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -78.61 -57.77 3.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -133.2 176.01 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -176.63 150.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.1 m 156.26 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 6.3 m-70 40.83 -137.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 5.5 tpm_? 90.3 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CD2' HG12 ' A' ' 14' ' ' ILE . 28.3 p90 -92.16 173.75 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.66 125.98 44.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 42' ' ' PHE . 16.7 t -89.99 139.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.783 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -100.92 111.38 23.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.54 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 2.5 mp -116.96 95.76 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -141.96 137.64 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.671 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -96.44 117.08 30.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -166.19 154.35 10.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.677 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 13.9 t80 -73.71 136.86 77.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.605 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.95 60.19 5.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.9 p -57.26 142.93 41.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.662 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -71.27 -22.49 61.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.61 -59.05 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.31 -38.65 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.18 -18.1 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -40.65 -27.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 56' ' ' LEU . 9.8 m-85 -67.5 -55.24 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.506 ' CE ' HG13 ' A' ' 111' ' ' VAL . 1.5 mtt -76.39 -34.47 58.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -53.81 -26.19 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.87 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -59.19 -38.33 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.2 m -124.41 142.38 40.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.581 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 11.2 mt-30 -81.5 14.34 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -28.36 -92.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 Cg_endo -74.89 -30.69 7.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -45.8 -40.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -33.1 54.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.573 ' CD1' ' HB2' ' A' ' 51' ' ' PRO . 2.0 mt -75.33 -58.83 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.4 mt-30 -54.36 -31.58 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -79.76 -19.45 48.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HG2' ' CD2' ' A' ' 109' ' ' LEU . 2.8 tp60 -65.07 -38.92 92.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.552 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -81.71 140.08 47.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' O ' ' CE3' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 50.4 2.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' CD ' ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -165.89 28.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.81 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -43.78 -63.37 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' N ' HD21 ' A' ' 81' ' ' LEU . 22.7 t70 -40.18 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.551 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -88.12 -59.34 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.616 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.9 p -79.06 -46.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.73 -13.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.93 -105.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' O ' ' O ' ' A' ' 84' ' ' LYS . 2.1 t80 -141.16 -6.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -57.9 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.628 ' CG ' ' CD1' ' A' ' 102' ' ' LEU . 4.6 m-70 -29.7 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.934 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -48.54 -29.89 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.934 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -38.41 -160.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.96 23.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.633 HG23 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -88.67 -44.56 10.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.687 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -109.69 -23.9 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.687 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -38.12 -111.37 0.0 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.741 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -19.05 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.741 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.7 OUTLIER -110.53 106.56 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.662 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -66.05 -19.21 65.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.617 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 11.1 tm0? -64.09 -30.72 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 50.2 mmtt -67.46 -20.85 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.641 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.8 t -96.94 -47.83 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.562 HG13 ' HG ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -72.95 -22.4 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.638 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -37.3 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.6 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER 152.5 54.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.03 -159.76 9.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.628 ' CD1' ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 40.26 -126.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.749 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 14.2 m0 -110.25 158.07 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 66.7 m-80 -73.83 105.17 1.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.833 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.3 Cg_endo -74.95 -24.46 12.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.695 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 5.71 57.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.833 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.8 mm-40 -139.53 152.58 47.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' O ' ' OE1' ' A' ' 73' ' ' GLN . . . -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.54 ' CB ' ' HB2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -93.76 124.15 37.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 112' ' ' ASP . 1.7 t90 -103.82 129.91 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.542 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 1.1 t -158.85 131.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.608 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.3 t70 -124.56 148.66 47.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.424 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.6 t90 -132.52 7.44 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.1 tm-20 -90.3 -45.28 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -112.67 3.58 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.778 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.7 tttt 69.52 63.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.477 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -131.97 155.56 47.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 111' ' ' VAL . 9.7 m -153.93 165.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 171.21 -163.72 36.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -145.76 167.93 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.28 146.55 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.497 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.93 -24.68 67.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -55.05 -40.03 69.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.583 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER -49.77 -52.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.641 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -50.76 -50.98 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -57.15 -59.52 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.527 ' CB ' HD11 ' A' ' 129' ' ' ILE . 20.3 m-85 -66.29 -74.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.675 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.1 OUTLIER -146.75 83.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.925 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -35.66 168.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.925 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.39 -19.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.62 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -146.25 90.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.523 ' HB3' ' CG2' ' A' ' 129' ' ' ILE . 3.6 pttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.467 0.175 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' PHE . 76.9 p -164.92 154.55 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' SER . 3.9 m-85 58.57 117.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -43.9 60.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -70.56 -48.59 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.52 ' C ' ' O ' ' A' ' 5' ' ' LYS . 15.3 t 28.42 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.08 137.51 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' ARG . 8.5 tp60 -51.61 118.67 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' GLN . 3.8 mmt180 60.66 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -85.96 131.02 48.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.671 ' CB ' ' ND2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 151.1 39.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 40.4 mtt180 -118.3 -50.95 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 22.9 m -105.86 113.81 27.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.712 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 4.1 mm -100.06 114.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -99.09 105.32 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.785 HD22 ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -112.63 147.2 37.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 45.9 m-85 -122.14 152.23 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.619 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 2.3 m -100.77 140.27 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.0 t30 -140.47 61.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.649 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 50.87 160.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.773 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -170.29 -82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -151.0 -138.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 22' ' ' ALA . 12.8 t -33.53 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.2 m120 -98.2 97.72 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.705 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.6 mp -57.29 -37.51 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.32 -52.4 7.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -62.99 -64.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.986 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 4.1 tt0 -41.94 -32.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.773 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.04 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.5 t -96.67 -51.23 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 108.256 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 27' ' ' SER . 2.3 mm? -35.86 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.986 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -78.99 -50.22 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 33' ' ' LEU . 2.9 tp -52.8 -43.32 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.768 ' HA ' ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -80.46 -15.77 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.371 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 7.8 tttt -57.06 -9.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -88.13 -67.64 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -138.13 102.99 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 p -143.12 171.34 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 t 169.93 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -141.81 134.24 28.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CD ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 166.17 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.752 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -155.33 166.69 32.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.67 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -100.95 127.34 54.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -106.52 112.32 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.6 mp -110.21 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.89 139.68 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.619 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.8 p30 -101.58 121.57 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.571 ' O ' HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -163.75 158.47 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.781 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -70.22 120.68 79.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 48.53 2.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.7 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -60.83 166.63 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.545 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 1.0 OUTLIER -61.31 -26.06 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -49.87 -58.27 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -33.61 21.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.577 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.91 -25.71 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.545 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 18.8 pt20 -42.5 -43.53 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 19.8 m-85 -63.44 -49.28 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.42 -28.68 63.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.78 -34.33 71.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 1.2 p -77.84 -46.41 21.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 55.0 p -83.53 42.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 155.98 129.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.16 3.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 36.8 tt0 -97.55 12.09 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -49.97 -49.87 34.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.02 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 18.0 t -49.14 -31.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.526 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 67.7 m -67.07 -33.64 75.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 1.1 mt -72.98 -56.85 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.7 pt20 -61.25 -33.57 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.17 -16.59 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HG3' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -69.35 -38.44 78.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.577 HD12 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.67 168.09 31.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.53 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -70.18 57.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.773 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.97 -64.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.638 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 2.0 t70 -45.79 -24.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.557 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -81.95 -58.98 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.943 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.574 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 12.5 p -75.87 -44.32 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -51.98 -15.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' C ' HG23 ' A' ' 86' ' ' THR . 8.6 tptt -110.69 -108.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.628 ' C ' ' CG2' ' A' ' 86' ' ' THR . 17.2 m-85 -134.89 1.17 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.744 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -64.14 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.653 ' CD2' ' CD1' ' A' ' 102' ' ' LEU . 19.6 m-70 -25.13 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.647 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.888 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.17 -28.87 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.047 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -40.6 -156.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.047 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 17.52 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -87.53 -41.55 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.676 ' O ' ' O ' ' A' ' 91' ' ' GLY . 1.4 m-85 -104.55 -17.22 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -49.0 -149.99 0.0 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.714 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 5.0 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.714 ' H ' ' HG2' ' A' ' 92' ' ' MET . 5.0 m-20 -111.96 101.02 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.686 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -87.42 -45.7 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.641 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -55.21 -26.85 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -68.37 -28.64 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.17 -40.26 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.661 ' CG2' ' CE1' ' A' ' 90' ' ' PHE . 1.3 t -74.89 -30.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.641 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.43 -39.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 178.16 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -51.21 -94.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.653 ' CD1' ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -34.3 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.548 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 4.1 m95 -144.12 159.64 42.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.406 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 2.8 m-80 -106.91 95.88 13.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.792 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -12.9 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.792 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 32.91 41.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 33.6 mm-40 -119.69 155.37 32.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.81 126.27 55.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 6.2 mt -93.58 133.68 36.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.785 ' CD1' HD22 ' A' ' 16' ' ' LEU . 9.5 t90 -123.61 130.79 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.621 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.3 m -154.4 126.03 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.801 ' OD2' ' HB2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -114.35 157.78 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.52 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.6 t90 -133.26 -54.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 13' ' ' THR . 4.4 mm-40 -58.63 -16.36 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.801 ' HB2' ' OD2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -116.29 1.17 13.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.3 51.31 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.747 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -130.61 146.94 52.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.553 ' CG2' ' HG3' ' A' ' 59' ' ' MET . 44.8 t -149.42 158.12 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 155.69 126.83 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.584 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.2 m120 -98.97 120.45 39.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.7 mt-10 153.76 151.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.99 -31.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.98 -24.45 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 128' ' ' TYR . 95.3 m-20 -52.96 -50.59 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.684 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -50.83 -58.23 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 1.2 t70 -45.08 -53.63 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.51 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 124' ' ' ASP . 9.6 m-30 -57.0 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.789 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -144.61 83.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.879 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -30.68 166.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.879 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -50.18 4.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.785 ' H ' ' C ' ' A' ' 130' ' ' ILE . 0.1 OUTLIER -174.63 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 132' ' ' ARG . 10.7 tttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.51 0.195 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -163.31 145.01 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -160.48 172.22 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.418 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 29.0 p90 -80.73 -39.16 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -57.47 -46.3 83.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.43 ' OG1' ' CE ' ' A' ' 133' ' ' LYS . 14.5 m -99.33 160.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 128' ' ' TYR . 2.7 pp 173.06 110.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 33.4 tt0 53.43 75.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' CB ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 84.69 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.37 129.46 69.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.655 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 18.5 Cg_endo -74.95 125.02 9.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' N ' ' CG ' ' A' ' 115' ' ' ASN . 8.9 mtt-85 -102.63 -81.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 115' ' ' ASN . 15.6 m -82.64 120.5 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.63 HG13 ' CD2' ' A' ' 42' ' ' PHE . 1.5 mm -100.86 121.22 51.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -111.16 99.66 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.593 ' CD1' HD12 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.41 139.49 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.572 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 81.5 m-85 -111.84 150.66 30.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.589 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 1.8 m -97.27 136.0 38.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 2.6 m120 -142.02 34.27 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.692 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 63.13 159.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.773 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -158.83 -74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 28' ' ' GLN . . . -136.18 -130.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -39.07 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.698 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.7 m-20 -85.72 104.77 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.692 ' CG2' ' HA ' ' A' ' 20' ' ' ASP . 1.7 mp -52.61 -39.03 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.811 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 6.3 mmtp -81.31 -55.44 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.916 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -58.68 -65.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.715 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 63.4 tp60 -44.45 -34.55 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 2.5 tptm -45.32 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -100.23 -43.32 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.916 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -38.49 -42.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.669 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 34.9 mm-40 -80.48 -43.31 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.71 -47.38 67.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' ' CG ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -73.34 -20.43 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -66.11 1.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -63.17 -115.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.698 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 5.3 t0 -64.87 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 p -153.57 167.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.625 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 80.3 p -157.99 157.26 32.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.4 m170 158.65 63.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -162.27 -53.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.049 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -93.78 168.17 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG12 ' A' ' 14' ' ' ILE . 1.6 m-20 -106.14 113.01 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 42' ' ' PHE . 4.5 p -95.53 125.34 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.1 mm-40 -104.1 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.648 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -109.73 103.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.62 134.22 23.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.589 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 2.1 p30 -90.09 120.52 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' HD23 ' A' ' 94' ' ' LEU . 2.6 tpp180 -162.49 156.68 21.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.809 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.07 124.81 91.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' CG ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.03 47.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.712 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -61.43 155.23 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.516 ' CZ3' ' CB ' ' A' ' 67' ' ' PRO . 57.2 m95 -55.08 -26.95 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -49.83 -59.47 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -44.12 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.525 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.63 -26.36 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.2 mt-30 -44.05 -31.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.633 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -71.73 -50.21 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -73.86 -30.76 62.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.47 -26.65 63.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.243 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -81.33 -45.19 16.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 p -66.44 -8.5 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -171.9 137.38 0.97 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.92 -21.62 15.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -94.3 7.32 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.705 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -64.45 -37.78 94.9 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.519 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -50.72 -28.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -56.55 -45.89 80.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.43 -54.46 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' O ' HD11 ' A' ' 77' ' ' LEU . 2.1 mt-30 -49.49 -40.73 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' CD ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.48 -18.8 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 109' ' ' LEU . 2.3 tm0? -64.21 -31.73 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.93 163.25 49.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.495 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.05 -42.9 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HB3' ' OG ' ' A' ' 79' ' ' SER . 3.6 mmtt -86.88 67.71 9.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.878 ' O ' ' N ' ' A' ' 81' ' ' LEU . 4.0 tp -61.9 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 82' ' ' LYS . 9.6 p-10 -42.16 -28.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 51.1 m -73.82 -64.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.596 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 12.5 p -79.63 -30.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.878 ' N ' ' O ' ' A' ' 77' ' ' LEU . 12.8 tp -60.57 -9.12 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -126.38 -100.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.4 t80 -144.24 -5.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.85 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.17 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.561 ' CD2' HD21 ' A' ' 102' ' ' LEU . 59.8 m-70 -27.71 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.965 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -47.59 -26.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.988 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -37.73 -158.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.988 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 19.67 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.571 HG21 ' N ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -82.53 -45.53 14.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.6 ' O ' ' O ' ' A' ' 91' ' ' GLY . 23.0 m-85 -106.38 -17.26 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.15 -163.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.66 ' HG2' ' H ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER 18.4 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.66 ' H ' ' HG2' ' A' ' 92' ' ' MET . 12.7 m-20 -106.46 104.38 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' HB3' ' CA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -77.68 -34.4 52.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.762 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 3.3 tt0 -44.36 -42.38 6.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.514 ' HA ' ' HG3' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -47.24 -34.67 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 89' ' ' THR . 4.8 m -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.514 ' CG2' ' HG ' ' A' ' 94' ' ' LEU . 19.3 t -73.11 -24.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.766 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -52.21 -10.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.766 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.0 OUTLIER 122.79 2.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.242 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.3 -111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -30.79 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.669 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -149.82 154.67 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 107.973 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.559 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 17.0 m120 -82.99 106.32 6.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.812 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.4 Cg_endo -75.0 3.4 5.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.852 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 3.6 60.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.812 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.5 mm-40 -138.16 155.71 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -115.97 127.93 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 70' ' ' LEU . 5.3 mt -105.97 124.23 49.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.632 ' CZ3' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -124.98 122.13 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 m -145.19 130.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.597 ' CB ' ' HB2' ' A' ' 115' ' ' ASN . 11.7 m-20 -121.51 138.97 54.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.633 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.4 t90 -101.79 -65.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -5.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.936 ' N ' HD21 ' A' ' 115' ' ' ASN . 0.4 OUTLIER -103.33 -13.43 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 58.82 25.01 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.632 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 3.5 pp -133.49 142.04 48.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.624 ' HA ' ' CZ3' ' A' ' 110' ' ' TRP . 83.5 t -145.93 163.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 165.23 132.0 1.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 15.1 p-10 -85.19 172.67 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 86.63 147.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.07 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -63.69 -28.9 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.53 -45.17 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -48.96 -54.76 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.817 ' O ' HG23 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -45.0 -51.78 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.541 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.15 -53.01 56.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 110' ' ' TRP . 11.5 m-85 -82.27 -89.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.697 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.1 OUTLIER -118.25 87.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.958 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.44 -157.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.958 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.1 mp0 -44.64 -16.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 1.049 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.466 0.174 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -123.57 135.24 53.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -156.3 160.93 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -83.92 -48.52 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' HB3' ' CG ' ' A' ' 133' ' ' LYS . 2.7 mmtp -79.55 -26.46 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 5' ' ' LYS . 8.8 t 33.65 93.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 128' ' ' TYR . 10.0 tp -152.39 -46.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 30.7 tt0 82.47 121.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 9.3 mtp180 60.03 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -86.18 135.95 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.56 20.15 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 1.2 ttt85 -104.05 -56.07 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -93.2 114.73 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.691 ' CG2' ' NE1' ' A' ' 110' ' ' TRP . 12.3 mm -99.31 113.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -102.69 100.52 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -126.89 131.03 51.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 58.1 m-85 -98.0 158.19 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.607 ' HA ' ' HG2' ' A' ' 29' ' ' LYS . 1.3 m -109.74 145.21 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.563 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.4 t30 -134.23 51.02 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.578 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 10.7 t70 50.86 164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.917 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -158.66 -79.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . -146.34 -99.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -56.23 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.658 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -75.94 97.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.687 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.1 mm -39.62 -46.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.67 -61.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.841 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.37 -66.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.011 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.722 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 36.2 tp60 -37.94 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.917 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.26 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.604 ' O ' ' N ' ' A' ' 33' ' ' LEU . 2.0 m -78.51 -56.84 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.841 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -33.75 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.6 mm100 -77.31 -48.01 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 30' ' ' CYS . 2.0 tp -57.51 -56.16 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -66.52 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -60.36 -14.48 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 131' ' ' GLN . 1.2 m-20 -102.53 -87.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -164.35 171.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.607 ' HA ' ' CA ' ' A' ' 132' ' ' ARG . 85.4 p -129.93 171.56 12.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 171.14 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.592 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.658 ' C ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -13.17 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.678 ' CD2' ' O ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -89.85 165.37 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.32 122.82 46.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 23.5 t -92.73 128.24 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -97.53 116.39 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.647 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 1.1 mp -106.83 105.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -143.23 138.83 29.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.543 ' HA ' ' H ' ' A' ' 18' ' ' THR . 6.3 p30 -101.26 123.25 45.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -157.74 162.82 38.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CD1' ' O ' ' A' ' 92' ' ' MET . 27.0 p90 -72.67 111.86 12.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 61.28 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 38.7 p -80.92 167.24 20.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 5.7 p90 -59.44 -26.88 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -58.37 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -84.05 -52.27 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.588 ' CD1' ' HB2' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -51.53 -27.25 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 3.6 tp60 -36.29 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.3 m-85 -64.49 -54.79 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.481 ' SD ' ' CG2' ' A' ' 118' ' ' VAL . 3.4 mmt -78.51 -26.45 45.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 3.5 ttt180 -51.5 -34.04 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -46.48 9.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -62.92 -13.95 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.92 134.94 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.532 1.807 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -91.33 12.78 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.565 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.66 -47.25 92.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.595 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 1.9 m -48.99 -27.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -72.23 -35.0 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 6.2 mt -73.69 -58.51 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.0 pt20 -54.23 -36.68 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 1.1 mmm-85 -79.73 -17.8 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.497 ' HG2' ' CD2' ' A' ' 109' ' ' LEU . 0.7 OUTLIER -67.73 -40.41 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.14 141.0 57.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.01 57.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CD ' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -176.45 34.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.859 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -44.33 -62.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' N ' HD23 ' A' ' 81' ' ' LEU . 20.5 t70 -40.13 -27.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.528 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -86.64 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.959 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.8 p -80.39 -42.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.859 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.21 -6.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -125.47 -86.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.595 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER 179.36 5.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -53.12 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.611 ' O ' ' CG2' ' A' ' 89' ' ' THR . 9.1 m-70 -37.25 -17.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 1.119 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.2 t -51.69 -16.33 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.162 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.0 OUTLIER -31.54 -145.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 1.162 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.01 25.68 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.4 t -88.57 -49.88 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 97' ' ' CYS . 0.3 OUTLIER -102.21 -22.69 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.39 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.825 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -14.98 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 111.009 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m-20 -119.94 98.54 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.643 ' CD2' ' CG2' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -85.41 -32.26 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -68.87 -57.77 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 100' ' ' ARG . 36.2 mmtt -44.48 -27.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.1 m -92.11 -39.05 11.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.643 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 2.1 t -76.14 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 95' ' ' GLN . 10.3 mt-30 -51.64 -21.83 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 96' ' ' LYS . 1.3 tmt_? 177.6 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.598 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -178.08 -128.82 1.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.598 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -23.42 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.95 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 7.0 t90 -143.78 160.19 41.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -93.56 94.08 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.95 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -75.03 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.774 ' HG3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -165.86 39.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 9.6 mt-10 -122.04 156.46 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . . . -134.32 148.9 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.595 ' CD1' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -113.74 119.34 37.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ2' ' CD1' ' A' ' 129' ' ' ILE . 8.6 t90 -105.66 135.25 47.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.53 ' O ' ' O ' ' A' ' 15' ' ' SER . 18.1 m -157.86 127.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.594 ' CG ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.69 149.62 27.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.408 ' CD1' ' HD2' ' A' ' 58' ' ' TYR . 1.6 t90 -121.04 1.41 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.5 mm-40 -87.86 -45.2 10.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.594 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 3.7 m-20 -111.19 17.56 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 52.93 52.05 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 128' ' ' TYR . 1.7 mt -111.6 145.52 39.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.481 ' CG2' ' SD ' ' A' ' 59' ' ' MET . 53.5 t -150.58 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . -163.64 162.75 35.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.406 ' HB3' ' OG ' ' A' ' 69' ' ' SER . 3.3 p30 -118.91 160.44 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 2.7 mt-10 70.25 166.21 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.543 ' O ' HD23 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -41.37 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.31 -28.19 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.633 ' OD1' ' CD1' ' A' ' 128' ' ' TYR . 2.7 t0 -59.58 -48.14 82.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.743 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -50.22 -56.95 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.579 ' HA ' ' CG2' ' A' ' 130' ' ' ILE . 2.4 t0 -45.65 -56.69 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 16.0 mmtp -57.37 -55.65 32.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.638 ' HB3' ' CD1' ' A' ' 129' ' ' ILE . 2.9 m-85 -70.19 -84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.844 ' CD1' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -129.91 95.48 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.791 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.6 OUTLIER -39.95 -116.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 1.7 mp0 -106.66 -37.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.656 ' O ' ' CD1' ' A' ' 42' ' ' PHE . 1.1 ptp85 -99.05 -26.13 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.678 ' O ' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.464 0.173 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -124.72 133.42 53.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.054 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 5.7 p90 -137.28 56.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -83.18 -48.77 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CB ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -85.3 -41.56 15.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER 58.04 102.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -165.59 120.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -43.58 93.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 61.38 129.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 142.4 28.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HG3' ' CD2' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.552 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 8.0 mtt-85 -135.04 -45.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.677 ' CG2' ' CZ2' ' A' ' 113' ' ' TRP . 7.1 m -109.3 117.79 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.669 ' CG2' ' NE1' ' A' ' 110' ' ' TRP . 3.3 mm -92.7 110.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -106.77 102.24 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.592 ' CG ' ' HE2' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -129.18 128.45 43.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.667 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 4.7 m-30 -97.17 154.12 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.595 ' OG1' ' HD2' ' A' ' 29' ' ' LYS . 37.1 m -101.82 150.98 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.807 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 m120 -146.72 54.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.807 ' O ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER 44.72 154.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.894 HG12 ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -153.78 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -154.87 -130.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.0 t -30.24 -92.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.688 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -82.44 98.28 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.711 ' O ' HD11 ' A' ' 21' ' ' ILE . 5.9 mm -43.05 -41.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.839 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.13 -60.65 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.778 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -55.86 -66.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 50.4 tp60 -38.56 -34.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.894 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.19 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.675 ' SG ' ' CD2' ' A' ' 34' ' ' LEU . 4.2 t -92.72 -51.72 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.778 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 3.4 mm? -33.34 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.4 mm100 -81.51 -41.06 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -61.0 -46.79 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.675 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -80.41 -11.65 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.1 tptt -47.91 -19.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -57.88 -95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.53 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 3.6 m-20 -101.24 -172.32 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -166.0 164.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 2.1 m 167.76 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -111.24 129.94 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 178.05 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.885 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -158.7 161.54 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -105.01 114.75 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.69 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 2.1 t -86.21 120.22 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -99.96 113.57 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 HG22 ' NZ ' ' A' ' 29' ' ' LYS . 1.8 mm -109.5 104.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.37 136.1 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 1.8 p30 -90.96 122.59 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' C ' HD21 ' A' ' 94' ' ' LEU . 1.4 tpt180 -158.32 159.19 35.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.48 129.69 89.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.14 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.661 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -59.1 146.5 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.442 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -67.01 -24.97 66.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -56.98 8.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -39.1 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.32 -25.24 65.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.52 -30.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.04 -53.36 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.492 ' HE3' ' CG2' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -70.11 -28.37 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.64 -37.99 66.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -76.24 -37.53 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -95.95 38.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -178.72 133.59 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.48 8.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.592 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -88.27 -15.96 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 20.08 -106.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.536 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 -36.09 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -47.0 -37.42 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -73.74 -34.25 64.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 67' ' ' PRO . 3.4 mt -73.24 -54.12 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.76 -32.68 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 1.6 mmt180 -79.48 -18.8 51.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.98 -36.43 82.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.646 HD13 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -82.86 159.52 62.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.511 ' HD2' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.99 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.03 56.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.81 -65.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 3.4 p-10 -40.42 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' HB3' ' A' ' 84' ' ' LYS . 9.4 t -83.62 -61.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.044 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.598 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 11.0 p -80.43 -43.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.47 -6.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -123.19 -104.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.7 t80 -146.35 -6.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.816 ' O ' ' N ' ' A' ' 86' ' ' THR . 6.4 tttt -57.02 -134.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.578 ' CD2' HD21 ' A' ' 102' ' ' LEU . 32.8 m170 -29.34 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.945 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.74 -26.76 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -39.36 -156.51 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.04 19.86 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.65 -41.74 16.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.711 ' CE2' HD12 ' A' ' 94' ' ' LEU . 1.2 m-85 -107.13 -20.75 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.5 -170.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.661 ' N ' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER 27.56 -97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.513 ' H ' ' HG2' ' A' ' 92' ' ' MET . 6.3 m-20 -96.19 103.09 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.711 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.75 -30.1 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 1.5 tt0 -50.89 -27.55 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.621 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 46.9 mmtt -62.5 -28.69 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -98.38 -49.94 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.663 ' CG2' ' CD1' ' A' ' 94' ' ' LEU . 80.7 t -58.77 -32.96 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -39.05 -25.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 4.1 ttt180 154.03 -19.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -65.14 -160.76 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER 34.94 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.758 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -143.45 157.94 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -93.97 100.01 4.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.95 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.667 ' HE2' ' C ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -179.02 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 23.3 mt-10 -135.94 142.52 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.66 129.65 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.667 ' CD1' ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -100.35 116.33 32.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.788 ' CZ2' ' CD1' ' A' ' 129' ' ' ILE . 3.9 t90 -104.42 128.83 52.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 15' ' ' SER . 4.1 m -150.69 142.15 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.663 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -123.88 145.34 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.677 ' CZ2' ' CG2' ' A' ' 13' ' ' THR . 16.8 p-90 -122.05 12.99 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.962 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.631 ' OE1' ' CE3' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -95.03 -39.05 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 4.6 m-20 -112.41 0.37 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.603 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 72.43 40.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.567 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -112.77 143.19 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.518 HG11 ' N ' ' A' ' 119' ' ' GLY . 76.3 t -147.84 158.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.518 ' N ' HG11 ' A' ' 118' ' ' VAL . . . 159.23 113.41 0.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.491 ' OD1' ' CD2' ' A' ' 70' ' ' LEU . 8.6 m120 -92.18 123.39 35.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 161.62 157.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.541 ' O ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.98 -41.84 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.67 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.698 ' HB3' ' CE2' ' A' ' 128' ' ' TYR . 5.5 m-20 -55.66 -49.57 72.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.731 HG12 ' CD1' ' A' ' 110' ' ' TRP . 1.5 mt -49.58 -59.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.76 ' O ' HG21 ' A' ' 130' ' ' ILE . 1.2 t70 -53.49 -44.75 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -60.78 -59.95 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.698 ' CE2' ' HB3' ' A' ' 124' ' ' ASP . 5.0 m-30 -70.04 -70.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.788 ' CD1' ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -144.04 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.827 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -50.58 -170.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.827 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -42.25 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.885 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -158.15 82.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.605 ' CB ' ' HG2' ' A' ' 5' ' ' LYS . 13.6 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.661 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.4 Cg_endo -74.98 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -147.31 -53.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -91.38 114.95 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.036 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 19.7 mm -101.63 108.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 111' ' ' VAL . 14.9 m -95.25 107.02 19.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -109.19 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CB ' HD13 ' A' ' 109' ' ' LEU . 2.8 m-85 -102.24 156.29 17.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.674 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.4 m -103.87 143.73 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.763 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.0 m120 -152.4 57.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.948 ' HB2' HG13 ' A' ' 98' ' ' VAL . 11.5 t0 57.54 158.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.119 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -173.86 -93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HD12 ' A' ' 25' ' ' ILE . . . -132.18 -148.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -29.51 -84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -85.75 95.96 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.119 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -48.89 -32.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.65 -54.16 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.943 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -61.43 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.927 ' HB3' HD12 ' A' ' 21' ' ' ILE . 41.3 tp60 -44.86 -28.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 1.028 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.31 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.018 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.93 -56.74 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.359 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -32.88 -49.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.804 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.3 mm100 -73.63 -35.67 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -61.17 -50.17 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.929 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.93 -14.85 62.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.5 tmtt? -62.99 6.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.62 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -84.36 -107.67 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.537 ' C ' ' HG3' ' A' ' 131' ' ' GLN . 11.3 t0 -60.17 -144.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -92.99 170.42 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.631 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 15.6 m -123.18 125.25 44.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.631 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.8 m170 151.74 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.607 ' HG3' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER 77.29 -44.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 4.4 p90 -133.82 168.61 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.65 121.63 41.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.151 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 t -93.17 139.21 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.675 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -118.56 118.43 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.018 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.6 mp -111.46 109.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -137.45 141.86 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.674 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.6 p30 -110.95 116.72 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.632 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -168.36 166.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.669 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 7.7 t80 -74.46 129.83 83.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.659 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 61.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 9.2 p -58.9 145.02 42.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.685 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.93 -23.41 67.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.007 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -58.43 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -32.92 25.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.685 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -67.68 -21.42 65.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -38.06 -33.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 51.8 m-85 -75.1 -45.4 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -73.9 -31.74 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -52.55 -30.55 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -83.51 -46.6 12.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -84.31 49.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -174.27 144.29 0.95 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.4 Cg_endo -74.99 -36.46 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -94.3 -16.92 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . 38.84 -106.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.573 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 -38.5 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.758 HG12 ' HG3' ' A' ' 72' ' ' ARG . 5.2 t -48.14 -37.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -63.75 -36.55 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.643 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.1 mm? -74.09 -60.72 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.858 ' HG3' HD23 ' A' ' 81' ' ' LEU . 1.2 pm0 -54.8 -33.09 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.758 ' HG3' HG12 ' A' ' 68' ' ' VAL . 2.0 mmt180 -78.67 -20.8 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -68.19 -41.47 81.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.533 HD11 HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -85.14 159.96 55.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -75.01 149.35 36.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 79' ' ' SER . 14.1 tttt 69.67 42.16 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.74 -61.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -40.19 -28.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -76.94 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.734 HG23 ' HB ' ' A' ' 86' ' ' THR . 4.9 p -78.43 -32.83 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD23 ' HG3' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -58.21 -10.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.549 ' HD3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -118.81 -101.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.674 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -139.65 1.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.715 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -62.05 -139.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 1.05 ' CD2' HD21 ' A' ' 102' ' ' LEU . 8.8 m-70 -27.46 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.923 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.3 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.973 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -39.06 -157.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.973 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.01 19.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -90.9 -43.0 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 97' ' ' CYS . 1.5 m-85 -107.39 -24.24 11.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.669 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -37.35 -104.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -27.52 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.677 ' H ' ' HG2' ' A' ' 92' ' ' MET . 80.4 m-20 -103.76 104.44 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.61 -21.83 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 1.075 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.92 -27.91 67.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.619 ' C ' ' HG2' ' A' ' 99' ' ' GLN . 18.2 mmtp -65.18 -27.62 68.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 4.9 m -99.71 -47.87 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 20' ' ' ASP . 1.4 t -65.21 -28.04 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.665 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.64 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 156.31 -17.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.68 -134.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.05 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 0.38 -77.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.702 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -140.94 159.79 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 47.4 p-10 -106.85 84.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.702 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -74.99 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.613 ' CD ' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -152.09 47.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.511 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.0 mm-40 -113.3 146.25 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.593 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . . . -112.54 125.51 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.27 117.21 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.056 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.1 t-105 -114.29 120.07 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HG13 ' A' ' 118' ' ' VAL . 13.1 m -131.21 134.87 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.815 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.9 t0 -108.92 128.0 54.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.407 ' HZ2' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -107.68 5.25 26.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -93.8 -44.74 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 1.3 t30 -112.97 -3.42 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.625 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 71.6 38.75 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.854 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -108.68 117.72 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.047 HG13 HG12 ' A' ' 111' ' ' VAL . 40.9 t -126.99 155.7 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.426 ' O ' ' OD2' ' A' ' 124' ' ' ASP . . . -174.15 114.18 0.49 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 1.7 m-80 -69.66 90.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.52 ' CB ' ' OD2' ' A' ' 124' ' ' ASP . 0.3 OUTLIER 168.06 148.1 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.97 -23.31 13.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.64 58.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.52 ' OD2' ' CB ' ' A' ' 121' ' ' GLU . 47.6 m-20 -54.3 -32.93 57.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.681 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -72.99 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.974 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -48.93 -44.36 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.21 -52.57 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.854 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.93 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.056 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.47 94.07 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.002 HD13 ' N ' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -61.52 -164.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.861 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -50.65 -17.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.668 ' CD ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -151.06 24.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 1.002 ' N ' HD13 ' A' ' 130' ' ' ILE . 37.2 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' CB ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 pp0? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.96 163.34 35.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -110.53 -56.32 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 40.1 m -91.31 112.8 24.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mm -100.48 112.44 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.682 ' HB3' HG12 ' A' ' 111' ' ' VAL . 13.2 t -98.82 104.61 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.939 HD11 HD11 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -111.52 149.06 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.657 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -116.76 159.36 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 25' ' ' ILE . 2.5 m -102.0 143.85 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.705 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.8 m120 -155.92 62.11 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.622 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 5.2 t70 56.05 160.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.217 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.15 -88.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . . . -139.11 -132.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.579 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 2.8 m120 -85.59 100.32 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.217 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -50.57 -34.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.768 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.86 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.783 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.54 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.084 ' HB3' HD12 ' A' ' 21' ' ' ILE . 8.1 tp-100 -42.39 -33.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.966 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -47.88 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.77 ' SG ' HD22 ' A' ' 16' ' ' LEU . 79.2 m -96.71 -49.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.783 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -34.42 -44.92 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.702 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 34.3 mm-40 -80.31 -44.05 20.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -52.23 -43.38 64.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.028 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -82.57 -18.26 42.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.83 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.53 -54.31 23.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.568 ' N ' ' NE2' ' A' ' 131' ' ' GLN . 35.5 m-20 -169.36 93.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG22 ' H ' ' A' ' 39' ' ' SER . 1.9 p -83.16 -176.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.667 ' H ' HG22 ' A' ' 38' ' ' VAL . 61.4 m -168.68 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 162.05 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.568 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -128.96 -17.08 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -156.88 167.98 28.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.49 126.16 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.028 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.5 t -97.6 140.12 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -120.86 116.53 25.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.869 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -109.55 113.9 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -136.53 143.51 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.563 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 3.3 p-10 -111.74 114.87 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.712 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -171.48 163.39 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.09 117.01 44.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.862 ' C ' HD21 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.06 60.64 5.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.697 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -73.56 143.03 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.2 p90 -51.31 -21.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' THR . 34.7 t0 -42.54 -54.72 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.38 -59.36 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.862 HD21 ' C ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -52.67 -20.59 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.706 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -35.9 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.1 m-85 -67.25 -56.08 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.649 ' HE2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -77.04 -36.21 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -53.79 -24.66 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.87 -44.17 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.78 7.31 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -143.82 138.21 14.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.85 4.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -84.69 14.65 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . -29.3 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -31.54 6.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.561 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 2.4 t -49.17 -31.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -78.48 -38.67 40.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 56' ' ' LEU . 3.1 mm? -73.11 -57.82 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 3.5 pt20 -51.91 -45.04 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -70.08 -20.89 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.08 -38.15 78.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 1.074 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -84.83 164.74 40.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 163.13 35.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 51.66 70.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.882 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.75 -61.91 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.598 ' N ' HD23 ' A' ' 81' ' ' LEU . 21.5 t70 -41.95 -25.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.625 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.28 -61.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.074 HG11 HG22 ' A' ' 74' ' ' ILE . 13.8 p -79.93 -37.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.882 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.26 1.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 80' ' ' VAL . 1.8 tmtp? -127.53 -98.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.6 m-85 -148.05 -6.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 ttpp -59.33 -133.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.766 ' O ' HG22 ' A' ' 89' ' ' THR . 21.8 m170 -31.15 -24.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.915 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -49.84 -30.78 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.971 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.29 -159.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.971 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.94 25.57 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.424 1.749 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -91.99 -43.12 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' HG ' ' A' ' 102' ' ' LEU . 1.7 m-85 -107.63 -28.83 9.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.628 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.79 -124.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.802 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -12.6 -61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.589 ' OD1' ' O ' ' A' ' 93' ' ' ASP . 10.7 p-10 -117.84 99.89 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.018 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 -53.02 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.963 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.01 -25.67 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.595 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 5.5 mmmm -69.67 -27.13 64.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -98.43 -39.33 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 108.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 74' ' ' ILE . 2.3 t -78.87 -24.43 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -34.22 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 98' ' ' VAL . 12.4 ptm180 173.47 -31.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -64.39 -150.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.653 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 30.34 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.659 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -147.94 158.09 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -99.3 99.69 8.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.699 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -75.03 -17.94 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.821 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 30.5 34.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 105' ' ' PRO . 6.6 mt-10 -103.65 157.59 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.521 ' HB3' ' CA ' ' A' ' 122' ' ' PRO . . . -112.11 129.34 56.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.1 mm? -90.78 116.73 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.047 ' CZ3' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -109.55 122.37 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 107.989 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.03 HG22 HG12 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -148.24 133.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.73 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -125.86 132.83 52.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.69 7.52 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.4 tm-20 -91.28 -46.09 8.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -112.68 17.22 19.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 5.8 ptpt 52.81 41.55 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.614 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -110.32 146.22 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.03 HG12 HG22 ' A' ' 111' ' ' VAL . 21.3 m -150.83 165.02 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.537 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 167.59 144.04 4.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 20.8 p-10 -92.95 174.36 7.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.4 OUTLIER 77.46 148.95 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.521 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.05 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -56.42 -29.08 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -56.94 -48.46 78.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -47.0 -55.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.81 ' HA ' HG22 ' A' ' 130' ' ' ILE . 1.2 t0 -47.3 -53.02 14.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.55 -47.69 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.847 ' HB3' HD13 ' A' ' 129' ' ' ILE . 82.7 m-85 -87.04 -85.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.047 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.77 92.09 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.81 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.6 pp -48.95 -161.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.663 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 5.4 mp0 -50.98 -56.7 11.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.693 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -110.08 16.14 22.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.636 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 133' ' ' LYS . 7.8 pm0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.03 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 8.6 ttt85 -142.76 -40.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 97.1 m -120.42 116.62 25.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.754 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 5.0 mm -104.16 124.86 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -95.83 100.89 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD21 ' HE2' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -112.39 119.44 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.796 ' N ' HD13 ' A' ' 16' ' ' LEU . 1.4 m-30 -98.47 156.07 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -99.37 139.11 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.662 ' HB2' HD21 ' A' ' 109' ' ' LEU . 1.1 t30 -139.12 40.7 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.924 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.8 t0 54.8 144.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.843 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -150.81 -65.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -143.75 -144.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -30.08 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.2 m-80 -84.72 100.84 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.924 HG23 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mp -49.27 -41.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.813 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -81.85 -57.88 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.804 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.07 -65.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.791 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 52.2 tp60 -42.39 -35.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.827 ' HE2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.16 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.6 t -95.39 -54.53 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -31.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.791 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.4 mm100 -77.48 -46.31 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 3.2 tp -51.77 -52.07 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.008 HD21 HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -62.39 -29.92 70.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -65.94 -0.12 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -85.94 -86.48 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 t70 -68.87 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 39' ' ' SER . 2.0 t -157.87 146.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 153.67 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 14.6 t60 -179.34 161.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 1.4 ptp180 157.32 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.001 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -135.8 172.11 13.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.627 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.52 128.0 44.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.008 HG11 HD21 ' A' ' 34' ' ' LEU . 39.4 t -89.59 135.79 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.6 mm-40 -108.21 109.21 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.918 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.33 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.43 133.02 22.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' ND2' ' HG2' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -86.73 122.62 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.54 ' O ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.65 157.51 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.78 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.4 128.0 92.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 50.57 2.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.674 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.51 150.85 34.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.458 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 57' ' ' GLN . 1.7 p-90 -67.32 -24.96 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -60.42 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.82 -39.51 13.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.686 ' O ' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.99 -23.67 65.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 17.7 tp60 -42.29 -43.21 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -55.47 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.584 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 2.9 mmm -69.9 -30.8 68.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -55.88 -37.0 68.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.48 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -99.66 69.43 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.693 ' SG ' HG12 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 171.05 146.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.51 2.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -96.22 -4.34 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 18.09 -102.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 65' ' ' GLN . 3.7 p -42.71 -27.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.573 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -62.63 -48.57 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 70' ' ' LEU . 1.6 mm? -73.29 -52.15 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -47.96 -41.97 26.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.691 ' HA ' HD21 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -81.04 -18.5 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' CB ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -69.48 -43.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -79.96 164.35 53.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -74.98 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.1 OUTLIER 29.79 49.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.793 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -41.83 -64.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 14.0 t0 -41.13 -25.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.2 t -75.48 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.931 HG23 ' OG1' ' A' ' 86' ' ' THR . 5.5 p -80.2 -32.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.926 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -61.31 -7.59 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -131.97 -96.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.625 ' C ' HG22 ' A' ' 86' ' ' THR . 72.8 t80 -166.11 9.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.721 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.3 ttpp -56.95 -149.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' O ' ' CG2' ' A' ' 89' ' ' THR . 0.1 OUTLIER -35.05 -22.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.107 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.9 t -54.46 -14.79 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.218 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.1 t0 -32.21 -142.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.218 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 20.62 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.2 t -81.29 -48.04 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 94' ' ' LEU . 5.7 m-85 -101.95 -18.8 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -48.13 -167.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.969 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 21.83 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.673 ' H ' ' HG2' ' A' ' 92' ' ' MET . 20.2 m-20 -105.14 101.85 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.74 -23.3 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -53.69 -28.39 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.668 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 2.7 mmtp -62.13 -30.92 71.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.695 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 20.5 m -96.34 -49.17 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 94' ' ' LEU . 63.2 t -58.1 -33.96 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.692 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -42.19 -21.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.4 tmt_? 140.09 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.92 -116.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -15.98 -82.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.838 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -146.67 152.13 38.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 18.0 p-10 -90.0 99.89 2.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.838 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -145.0 43.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.574 ' CB ' ' HG3' ' A' ' 73' ' ' GLN . 5.4 mm-40 -128.88 156.15 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -117.31 142.7 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.901 ' N ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -110.96 112.16 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.634 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -111.53 134.19 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 15.3 m -157.51 128.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 117' ' ' LEU . 27.8 t70 -111.47 146.84 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.1 t90 -122.75 6.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.541 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -89.36 -47.31 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.616 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -115.74 21.96 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 11.2 ptpt 53.6 54.49 9.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.37 138.23 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.693 HG12 ' SG ' ' A' ' 63' ' ' CYS . 71.4 t -149.5 144.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 175.43 143.27 4.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -93.51 173.59 7.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.67 144.3 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.9 -26.43 68.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.634 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -56.49 -47.46 79.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -45.0 -52.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.855 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -50.97 -49.72 59.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -55.58 -57.9 10.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.904 ' HB3' HD13 ' A' ' 129' ' ' ILE . 69.9 m-85 -74.83 -83.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.92 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -128.78 91.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.855 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -53.22 -155.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.897 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.5 pt20 -53.61 -3.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.758 ' NE ' HD13 ' A' ' 130' ' ' ILE . 3.3 ppt_? -126.8 -169.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.92 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.711 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.95 149.2 36.57 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -125.58 -45.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -121.98 119.55 31.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.865 HD13 HD21 ' A' ' 115' ' ' ASN . 3.8 mm -96.05 105.98 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -104.46 104.23 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.852 HD22 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -120.08 140.57 50.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.825 ' HB2' HD23 ' A' ' 109' ' ' LEU . 2.5 m-30 -105.86 163.53 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.786 HG23 ' HD3' ' A' ' 29' ' ' LYS . 4.2 m -100.12 141.58 32.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.664 ' C ' HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -147.87 35.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.96 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 t0 58.32 151.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.812 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -145.27 -79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -136.82 -134.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -34.31 -65.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 4.6 m-20 -101.77 140.75 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.96 HG23 ' HA ' ' A' ' 20' ' ' ASP . 2.4 mm -80.65 -46.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 1.8 ptpt -86.29 -48.79 8.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.74 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -54.3 -56.9 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.79 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 10.0 tp-100 -59.36 -46.02 89.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.985 ' CE ' HG23 ' A' ' 46' ' ' ILE . 31.5 ttpt -33.05 -96.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.852 ' SG ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -98.2 -41.03 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.298 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.74 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -37.95 -43.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 77.9 mm-40 -85.76 -34.17 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.94 -48.27 79.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.114 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -90.28 -7.25 53.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptp -49.13 -37.49 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.668 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -49.01 -95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 2.5 m-20 -87.29 165.12 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.631 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 178.62 143.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 4.1 p 148.46 132.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.5 m170 33.58 -132.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.593 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 10.6 mpt_? 63.44 -146.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -83.88 172.29 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.76 121.1 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.114 HG11 ' CD2' ' A' ' 34' ' ' LEU . 10.6 t -89.99 139.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -110.29 114.97 28.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.985 HG23 ' CE ' ' A' ' 29' ' ' LYS . 2.2 mp -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -139.5 141.25 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.598 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 11.1 p30 -100.92 119.89 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.629 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -169.25 158.61 8.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CA ' HD12 ' A' ' 94' ' ' LEU . 14.0 t80 -80.19 137.29 52.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.929 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.97 59.78 5.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 7.2 p -56.31 131.4 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.788 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.9 t-105 -51.39 -24.86 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -86.55 -31.13 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.961 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -59.34 -25.9 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.607 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -41.36 -34.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 42.1 m-85 -74.97 -44.44 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.546 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -71.15 -31.99 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -55.81 -43.43 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -46.8 72.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.25 46.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.497 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 13.1 t -178.38 134.7 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.2 Cg_endo -75.05 -32.39 5.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.694 ' CA ' HG22 ' A' ' 68' ' ' VAL . 31.2 mt-30 -94.99 -21.23 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 27.48 -100.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.973 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -47.09 -25.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -79.27 -41.1 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -78.61 -55.6 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.544 ' NE2' HD13 ' A' ' 81' ' ' LEU . 11.6 pt20 -53.22 -47.44 68.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.929 ' HD2' HD13 ' A' ' 77' ' ' LEU . 11.2 mmm-85 -72.73 -23.24 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.683 ' NE2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -63.14 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.766 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -86.76 138.53 33.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.0 54.38 3.62 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 79' ' ' SER . 0.0 OUTLIER -173.95 30.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.929 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -45.32 -62.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 81' ' ' LEU . 9.3 t0 -38.84 -31.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.576 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 38.6 m -84.76 -58.9 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.2 p -77.89 -52.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.784 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.87 -25.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 19.0 mmmt -99.0 -106.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -143.1 -6.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.35 -133.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.739 ' O ' HG22 ' A' ' 89' ' ' THR . 22.9 m170 -26.92 -28.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.936 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.72 -29.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.942 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER -39.53 -157.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 21.74 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.42 -47.42 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 102' ' ' LEU . 2.1 m-85 -108.97 -25.15 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 50' ' ' PHE . . . -35.7 -101.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.748 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -29.95 -101.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.644 ' H ' ' HG2' ' A' ' 92' ' ' MET . 3.9 m-20 -103.18 105.43 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.898 HD13 ' H ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.66 -39.52 61.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.898 ' H ' HD13 ' A' ' 94' ' ' LEU . 1.4 tt0 -49.52 -29.95 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.64 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 13.0 mmtp -65.69 -28.2 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.9 m -97.8 -48.0 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.87 HG13 ' HD2' ' A' ' 105' ' ' PRO . 2.3 t -64.21 -30.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -38.85 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' VAL . 13.7 ttt-85 174.52 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -66.76 -167.87 2.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 36.33 -95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.289 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -147.26 153.21 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.441 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 19.0 p-10 -98.69 105.47 30.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.87 ' HD2' HG13 ' A' ' 98' ' ' VAL . 18.3 Cg_endo -75.0 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.804 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 27.38 44.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 38.5 mm-40 -131.16 152.13 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.94 131.31 56.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.969 ' H ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -94.54 112.68 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.025 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -112.75 110.27 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.995 HG12 HG13 ' A' ' 118' ' ' VAL . 20.2 m -127.7 135.53 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.816 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -110.25 138.05 47.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.475 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -104.44 -83.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.52 -9.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.865 HD21 HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -97.67 -2.03 42.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 46.07 35.76 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.824 HD13 ' CE2' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -136.56 151.16 49.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 111' ' ' VAL . 13.4 t -152.3 164.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 118' ' ' VAL . . . 171.45 110.45 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.596 ' OD1' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -74.2 98.97 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.1 mt-10 157.62 154.11 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.708 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.06 -22.82 14.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.435 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -75.74 -31.41 59.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.616 ' CG ' ' CD1' ' A' ' 110' ' ' TRP . 10.6 t0 -52.25 -33.0 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -68.54 -56.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.829 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -56.6 -51.73 67.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -46.54 -51.01 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.824 ' CE2' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -92.51 -92.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.025 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -101.91 89.84 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.7 pp -45.56 -164.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.668 ' OE1' ' N ' ' A' ' 36' ' ' GLY . 12.8 mt-30 -51.17 -54.07 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.676 ' N ' HD12 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -125.88 90.27 3.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.68 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 133' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HA ' ' CB ' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.97 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.54 -72.33 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.691 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 7.7 m -92.18 118.42 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.167 HG23 ' CH2' ' A' ' 110' ' ' TRP . 8.7 mm -95.69 112.65 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.13 98.75 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.934 HD22 ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -107.03 131.24 54.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.4 m-30 -103.8 150.21 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.699 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -103.75 138.29 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.3 t-20 -136.02 39.86 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.906 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 56.65 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.085 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.94 -83.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -130.89 -124.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -40.21 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.757 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m-20 -82.41 102.71 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.085 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -42.34 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.68 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.869 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.77 -69.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.034 ' HB3' HD13 ' A' ' 21' ' ' ILE . 9.5 tp-100 -41.15 -32.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.937 ' NZ ' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.14 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 46' ' ' ILE . 4.2 m -94.13 -45.42 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.869 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -35.96 -40.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.642 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 25.7 mm-40 -82.01 -43.25 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.99 -43.07 73.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.157 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.94 -18.06 48.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.3 tttm -58.8 -11.84 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.49 93.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -151.36 -170.79 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -157.86 164.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.525 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.3 OUTLIER 169.97 -162.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 119.7 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -179.32 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -150.23 161.88 41.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 1.9 m-20 -113.18 125.28 54.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.157 HG11 HD21 ' A' ' 34' ' ' LEU . 2.9 t -94.78 133.91 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.06 116.69 32.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.885 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -109.43 105.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.35 135.1 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 6.4 p30 -95.48 119.79 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 155.18 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.758 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.88 123.94 89.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.653 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.95 58.05 4.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.638 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -63.5 159.28 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.632 ' CZ3' ' HB2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -67.8 -25.91 65.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 108.01 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.5 -59.06 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.3 mt-30 -81.94 -43.02 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.025 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.68 -24.13 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -44.48 -31.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 24.1 m-85 -73.16 -55.95 5.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.842 ' HG2' HG11 ' A' ' 118' ' ' VAL . 0.7 OUTLIER -68.34 -29.91 68.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.493 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -51.11 -33.14 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.28 -43.93 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -56.32 -33.7 65.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.9 m -147.67 149.48 33.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.22 12.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.782 ' HA ' HG22 ' A' ' 68' ' ' VAL . 1.1 mp0 -81.18 10.12 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.594 ' HA3' HD21 ' A' ' 56' ' ' LEU . . . -33.61 -90.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.047 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.04 -43.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.782 HG22 ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -43.53 -33.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 70.2 p -78.71 -37.69 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.066 HD23 HD22 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -73.02 -56.95 4.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 2.0 mm100 -54.26 -43.28 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 1.025 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -74.33 -16.08 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 69' ' ' SER . 6.7 tp-100 -66.93 -40.5 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.9 140.77 54.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.01 70.02 5.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.726 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 167.21 37.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.025 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -48.27 -61.08 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 10.5 t0 -39.31 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 52.3 m -87.14 -59.13 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.658 HG23 ' OG1' ' A' ' 86' ' ' THR . 14.7 p -78.23 -47.67 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.64 -12.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -116.24 -103.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' ' O ' ' A' ' 84' ' ' LYS . 5.9 m-85 -152.18 -0.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.78 ' O ' ' N ' ' A' ' 86' ' ' THR . 5.5 tttt -54.32 -138.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' A' ' 102' ' ' LEU . 1.5 p-80 -34.76 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.074 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -47.35 -24.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.074 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -33.18 -156.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.006 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 22.08 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -78.66 -46.45 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 1.185 ' CD1' HD12 ' A' ' 94' ' ' LEU . 11.9 m-85 -107.69 -18.56 13.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.88 -171.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.94 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.77 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.636 ' H ' ' HG2' ' A' ' 92' ' ' MET . 54.2 m-20 -102.97 101.82 11.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.185 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -75.38 -32.81 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.94 ' HA ' HG22 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -52.31 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.659 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.3 mmmm -70.46 -21.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.814 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -95.13 -44.54 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 95' ' ' GLN . 1.6 m -73.26 -28.54 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.719 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -36.52 -37.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.719 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 2.4 tpt180 160.62 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -135.97 -168.39 11.51 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 39.08 -121.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.64 156.02 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.496 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 5.5 m120 -78.45 109.49 10.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.62 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.97 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 36.19 30.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 22.6 mm-40 -116.03 152.91 32.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.937 ' HB2' ' NZ ' ' A' ' 29' ' ' LYS . . . -114.73 142.1 46.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.066 HD22 HD23 ' A' ' 70' ' ' LEU . 14.3 mt -114.57 117.95 32.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.167 ' CH2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -109.79 115.81 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 107.989 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.663 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 3.9 m -142.28 132.19 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.96 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -111.81 151.63 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.418 ' HE1' ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -111.92 -78.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.24 -11.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.744 ' ND2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -106.91 -13.03 15.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.2 ptmt 46.6 53.92 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.96 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 0.2 OUTLIER -145.78 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.842 HG11 ' HG2' ' A' ' 59' ' ' MET . 2.1 m -130.79 152.79 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . -166.54 117.24 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.1 160.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.45 152.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.568 ' CB ' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.02 -40.46 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.82 -28.06 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.459 ' OD1' ' CE2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -55.84 -42.83 76.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.727 HG13 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.04 -56.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.836 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.45 -55.92 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -50.38 -51.05 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.813 ' HB3' HD13 ' A' ' 129' ' ' ILE . 13.3 m-30 -81.78 -84.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.865 ' CD1' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -119.62 96.24 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 126' ' ' ASP . 1.7 pp -52.13 -152.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 3.7 mp0 -76.24 3.83 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.811 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -179.61 81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.812 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.524 ' CB ' ' OD2' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -75.04 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.609 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.19 -43.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 20.4 m -106.61 113.12 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.027 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 7.2 mm -96.93 110.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.54 ' HB3' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -94.0 97.78 10.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -106.83 125.07 50.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.761 ' N ' HD13 ' A' ' 16' ' ' LEU . 11.2 m-30 -99.11 152.44 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.746 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -104.73 135.68 45.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.728 ' H ' ' CE ' ' A' ' 29' ' ' LYS . 2.7 m120 -139.44 41.09 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.635 ' HA ' HG23 ' A' ' 25' ' ' ILE . 13.8 t70 71.25 160.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.151 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -164.26 -82.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . . . -151.46 -114.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m120 -96.95 96.0 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.151 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -48.41 -40.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -82.99 -58.61 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.747 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -54.57 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -39.95 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.83 ' HD2' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.84 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -91.94 -54.27 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.8 mm? -32.91 -42.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.843 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -81.13 -43.79 18.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.4 tp -54.06 -46.71 72.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.923 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -76.38 -18.52 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.8 tttt -57.98 -2.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -77.2 -62.07 2.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.501 ' H ' ' CG ' ' A' ' 131' ' ' GLN . 74.2 m-20 -153.26 47.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.73 149.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . 7.4 m -137.23 -150.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -145.55 65.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -133.75 -1.34 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.983 ' CE2' HG22 ' A' ' 44' ' ' VAL . 1.4 p90 -158.61 163.04 37.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.83 119.04 38.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.983 HG22 ' CE2' ' A' ' 42' ' ' PHE . 24.0 t -92.98 134.91 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.685 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -118.13 115.22 24.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.83 104.49 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.54 138.31 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 9.3 p30 -92.85 118.47 31.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.13 158.15 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 8.4 t80 -87.36 140.37 32.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 1.019 ' HB2' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 60.12 5.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 54' ' ' ASP . 66.4 p -57.77 141.47 48.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.902 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -46.03 -26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -58.74 -60.63 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.35 -52.87 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.902 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -47.95 -24.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -44.47 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -76.09 -53.8 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.685 ' CE ' HG23 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -70.47 -26.22 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.28 -32.74 50.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -89.11 -44.27 10.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 m -54.62 -64.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 146.05 36.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.8 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.7 mt-30 -84.93 -18.97 32.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.94 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.2 t -44.44 -36.57 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 65' ' ' GLN . 3.6 m -76.3 -40.94 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.019 HD23 ' HB2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -72.48 -58.69 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.6 mt-30 -50.53 -35.3 28.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 7.5 mmt180 -78.8 -17.96 54.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.725 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.78 -39.46 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.83 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -63.46 173.36 1.26 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.83 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.95 -38.41 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.728 ' H ' HG23 ' A' ' 74' ' ' ILE . 12.6 mmtt -111.39 91.51 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.07 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.593 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.8 p-10 -44.56 -25.37 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -82.68 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.754 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.9 p -74.69 -40.36 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.899 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.2 -16.6 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -108.49 -104.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.712 ' C ' HG23 ' A' ' 86' ' ' THR . 1.1 t80 -141.19 3.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.691 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.53 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 1.089 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.8 m170 -30.4 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.959 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -44.46 -30.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.991 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -37.98 -159.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 21.01 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.851 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -85.46 -41.61 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.75 ' O ' ' O ' ' A' ' 91' ' ' GLY . 14.8 m-85 -103.87 -21.45 13.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.75 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.91 -149.94 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.777 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 1.55 -69.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.698 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -110.35 105.22 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -90.14 -51.83 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -48.79 -31.08 6.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -59.94 -25.4 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 27.8 t -102.85 -48.13 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 94' ' ' LEU . 2.6 t -72.92 -18.4 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.3 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 164.2 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.01 -150.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.089 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 23.92 -96.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.67 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -142.04 152.32 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.955 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.85 102.41 13.37 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.843 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 25.3 45.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 105' ' ' PRO . 7.3 mt-10 -121.92 151.61 40.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.83 ' HB2' ' HD2' ' A' ' 29' ' ' LYS . . . -109.66 137.77 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 73' ' ' GLN . 5.1 mt -109.48 117.49 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.051 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 2.0 t-105 -107.0 120.44 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.711 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -143.38 132.49 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.79 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.7 t0 -115.45 141.93 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.607 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 17.2 t90 -117.77 1.63 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.609 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.6 mm-40 -88.73 -46.37 9.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 9.2 m-20 -113.69 16.8 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 4.3 pttt 51.05 40.23 25.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -112.95 121.15 43.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.7 HG13 HG12 ' A' ' 111' ' ' VAL . 91.0 t -136.72 166.43 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 118' ' ' VAL . . . 172.88 125.59 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 p-10 -62.88 163.37 9.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 80.36 150.24 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.614 ' HB3' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.0 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -53.64 -24.85 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' HA3' ' A' ' 119' ' ' GLY . 3.0 t70 -52.85 -49.9 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.53 -53.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.954 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -45.79 -50.0 14.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -52.89 -48.52 67.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.981 ' CD1' HD13 ' A' ' 117' ' ' LEU . 78.1 m-85 -86.74 -84.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.051 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -121.48 90.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.954 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.1 OUTLIER -56.71 -159.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.843 ' N ' HG12 ' A' ' 130' ' ' ILE . 4.1 mp0 -48.38 -19.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.589 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -122.2 152.46 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -74.97 148.71 35.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 2.6 ttt85 -93.02 -51.41 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 m -91.15 114.4 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.733 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.9 mm -106.15 113.5 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -99.71 102.86 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -106.8 131.14 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' C ' ' HZ2' ' A' ' 29' ' ' LYS . 53.8 m-85 -102.73 150.11 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -103.56 140.85 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.589 ' OD1' HD21 ' A' ' 94' ' ' LEU . 5.2 m-80 -145.97 64.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.66 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 15.3 t70 56.15 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.187 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.24 -90.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -135.54 -143.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 22' ' ' ALA . 7.0 t -33.55 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.675 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-20 -90.12 96.29 10.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.187 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -33.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.05 -56.63 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.68 -66.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.008 ' HB3' HD12 ' A' ' 21' ' ' ILE . 7.6 tp-100 -41.41 -31.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.962 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.87 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.8 t -92.38 -50.22 5.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -33.73 -40.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.721 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.9 mm100 -80.83 -42.44 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -56.9 -41.8 78.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.788 HD23 ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -81.6 -16.6 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptm -61.08 -7.24 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -165.93 112.43 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.586 ' OD1' HG21 ' A' ' 130' ' ' ILE . 4.0 t0 174.7 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 130' ' ' ILE . 2.0 t -153.1 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -101.79 -147.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.532 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -131.96 148.77 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.576 ' CG ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -152.33 -43.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.69 ' CD1' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -111.15 177.46 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.47 119.06 33.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 HD11 ' A' ' 46' ' ' ILE . 72.9 t -89.54 139.15 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.6 113.57 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.853 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -118.06 100.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.56 140.89 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 1.3 p30 -100.15 116.99 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' CA ' ' OE1' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -166.33 155.8 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.681 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.86 110.39 5.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.73 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.98 58.77 4.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.535 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.78 165.2 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.584 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -69.28 -22.88 63.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.35 -57.5 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.72 -52.76 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -55.2 -19.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.584 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 tp60 -36.37 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' LEU . 33.8 m-85 -71.03 -51.25 26.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.7 mmt -74.32 -38.26 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -53.33 -22.86 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -43.28 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -20.07 62.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -132.75 132.66 22.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.91 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.698 ' HA ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-30 -96.41 14.61 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -56.61 -52.83 47.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.703 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.98 -51.76 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' A' ' 65' ' ' GLN . 4.2 p -48.49 -30.81 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 1.3 t -69.04 -33.3 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 56' ' ' LEU . 3.5 mt -75.63 -55.51 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.646 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 4.2 pt20 -59.77 -38.54 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.913 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -82.43 -16.91 47.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -65.23 -41.84 94.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -78.44 140.47 60.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.517 ' HG3' ' HA ' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -74.98 69.47 5.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 102' ' ' LEU . 1.3 tttt 170.79 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -46.01 -62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 1.8 t70 -43.92 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -85.3 -61.95 1.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.011 HG23 ' OG1' ' A' ' 86' ' ' THR . 9.2 p -83.85 -43.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.801 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.97 -5.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -125.25 -97.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.588 ' C ' HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -168.81 6.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.9 ttpp -53.43 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.617 ' O ' ' CG2' ' A' ' 89' ' ' THR . 22.5 m170 -36.21 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.161 ' O ' ' O ' ' A' ' 87' ' ' ASP . 4.3 t -52.52 -17.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.161 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -29.2 -146.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.158 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.05 21.38 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.7 t -78.88 -50.93 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.883 ' HD1' HD12 ' A' ' 94' ' ' LEU . 45.2 m-85 -97.4 -20.31 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.796 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -44.65 -138.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.749 ' HE3' ' CA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -20.46 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.608 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.1 m-20 -115.94 101.53 8.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.989 HD23 ' OE1' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -88.05 -51.11 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.989 ' OE1' HD23 ' A' ' 94' ' ' LEU . 3.1 mm100 -54.38 -29.96 50.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 7.7 mmmm -65.56 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.807 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 32.2 t -98.34 -53.05 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -75.45 -12.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.763 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.45 -25.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 98' ' ' VAL . 8.6 ttt180 156.32 -13.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -75.92 -150.51 3.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 29.78 -96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -141.5 154.04 45.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.12 106.44 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.721 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -26.9 10.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.808 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.37 32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.7 ' N ' ' O ' ' A' ' 105' ' ' PRO . 5.6 mm-40 -105.21 149.32 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.542 ' HA ' ' CD ' ' A' ' 29' ' ' LYS . . . -113.37 126.53 55.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 51' ' ' PRO . 7.5 mt -103.07 138.51 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.043 ' CE2' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.83 143.02 50.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 15' ' ' SER . 3.2 m -157.34 132.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -114.57 143.3 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.94 0.76 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.5 mm-40 -87.73 -49.15 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -117.17 15.0 14.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 18.9 pttt 51.34 60.55 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.612 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -126.49 117.28 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 111' ' ' VAL . 3.1 m -135.4 162.58 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA3' ' CE2' ' A' ' 128' ' ' TYR . . . 174.15 136.52 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.0 p-10 -80.23 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.553 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.28 144.21 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.553 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -62.54 -32.07 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' CG ' ' CE2' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -57.52 -40.47 78.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.65 -57.11 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.778 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -41.76 -51.01 4.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -58.2 -57.3 13.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.454 ' CE2' ' CG ' ' A' ' 124' ' ' ASP . 12.5 m-85 -69.92 -79.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.043 HD11 ' CE2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -136.79 87.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.9 OUTLIER -26.61 -118.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.876 ' HG3' HD12 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -96.58 -60.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.718 ' HG3' HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -71.26 -67.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.731 ' C ' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.714 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -157.01 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.551 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 28.6 mtt180 -143.56 -64.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -91.4 119.56 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.956 HD11 ' HG2' ' A' ' 133' ' ' LYS . 6.0 mm -92.99 110.95 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.914 ' O ' HG22 ' A' ' 111' ' ' VAL . 2.4 m -107.49 105.18 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -126.87 140.99 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.789 ' HB2' HD13 ' A' ' 109' ' ' LEU . 18.1 m-30 -106.55 163.25 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 ' HE3' ' A' ' 29' ' ' LYS . 6.3 m -99.41 144.41 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.639 ' HA ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -144.03 34.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.917 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.0 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.132 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.3 -87.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -123.61 -146.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -18.74 -76.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.782 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -94.21 149.12 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.132 ' O ' HD11 ' A' ' 21' ' ' ILE . 2.4 mm -79.0 -50.61 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.68 -51.29 6.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.777 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -47.61 -50.75 23.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.08 ' HB3' HD13 ' A' ' 21' ' ' ILE . 8.7 tp-100 -70.1 -43.08 71.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.883 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -37.04 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.82 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -97.94 -36.15 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.247 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.777 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -43.46 -36.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.701 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 17.4 mm100 -86.38 -31.56 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 1.6 tp -66.33 -48.44 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.658 ' CD1' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.21 -17.89 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.35 -19.65 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.75 -83.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' CB ' ' OE1' ' A' ' 131' ' ' GLN . 0.6 OUTLIER -103.53 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 39' ' ' SER . 2.6 t -148.06 164.65 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 132' ' ' ARG . 48.5 t 178.81 -145.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' N ' ' OG ' ' A' ' 39' ' ' SER . 3.2 t60 -158.54 103.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -149.63 -46.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -143.38 170.4 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.09 130.62 53.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 HD11 ' A' ' 46' ' ' ILE . 22.0 t -97.63 143.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.839 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -107.74 116.6 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.883 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 1.6 mp -115.64 105.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.12 139.24 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.623 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -99.95 115.43 29.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -172.44 165.33 5.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.026 ' CD1' HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -84.26 136.09 40.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 69.77 5.45 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -55.92 138.28 48.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.571 ' HA ' HD22 ' A' ' 56' ' ' LEU . 3.4 p90 -52.71 -27.22 16.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -50.56 -57.97 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.8 mt-30 -85.83 -50.74 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -51.14 -25.65 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.531 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.15 -27.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 31.6 m-85 -73.48 -51.09 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.5 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.4 mmt -75.08 -36.48 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -55.24 -22.76 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.06 -44.44 11.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 p -47.37 -38.84 13.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -136.28 155.01 77.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.53 5.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.727 ' HA ' HG22 ' A' ' 68' ' ' VAL . 4.0 mt-30 -95.29 11.88 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -54.84 -51.01 56.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -74.96 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' A' ' 65' ' ' GLN . 3.6 m -48.47 -29.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 4.0 m -61.46 -32.27 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.744 HD23 ' CD1' ' A' ' 56' ' ' LEU . 3.2 mm? -76.84 -63.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.3 pt20 -53.95 -44.22 70.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.957 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.505 ' HG3' ' CB ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -68.0 -38.69 82.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.78 HD13 ' HE1' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -80.32 141.67 53.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 18.5 Cg_endo -74.95 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' CZ3' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 161.45 40.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -52.77 -60.44 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 81' ' ' LEU . 10.0 t70 -37.18 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -88.14 -58.46 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.776 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.3 p -78.39 -46.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.97 -13.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -109.14 -107.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.693 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -139.32 3.48 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -58.72 -143.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.934 ' CG ' HD21 ' A' ' 102' ' ' LEU . 11.0 m170 -35.79 -25.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.948 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -45.76 -26.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.052 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.6 -156.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.052 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 19.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.08 -40.85 17.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 1.206 ' CD1' HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -104.93 -22.19 13.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.57 -165.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.923 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 22.82 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.612 ' H ' ' HG2' ' A' ' 92' ' ' MET . 9.6 m-20 -107.36 106.03 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.206 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.07 -32.6 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 11.4 tt0 -47.31 -27.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.1 mmtt -62.75 -27.67 69.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 11.5 m -100.04 -49.2 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' HB3' ' A' ' 20' ' ' ASP . 25.6 t -62.71 -28.55 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.618 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.2 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' VAL . 16.7 ttt180 161.89 -26.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -70.29 -157.85 2.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.975 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 35.39 -98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.78 ' HE1' HD13 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -151.5 144.66 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.493 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 1.2 m-20 -87.39 109.08 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.741 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -74.98 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 24.04 53.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 105' ' ' PRO . 11.7 mt-10 -145.13 155.45 43.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.09 127.54 55.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.789 HD13 ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -99.43 118.26 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.802 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.0 t-105 -109.85 140.02 44.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.967 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.914 HG22 ' O ' ' A' ' 15' ' ' SER . 4.4 m -152.38 134.74 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.726 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -113.21 137.99 50.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.24 2.98 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.043 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.613 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.4 tp10 -90.72 -53.71 4.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.685 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER -115.71 17.17 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.619 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 2.8 pttm 51.81 58.57 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.208 HD23 ' CZ ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -115.07 110.9 20.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 111' ' ' VAL . 6.4 m -135.95 146.94 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.84 144.41 9.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.8 p-10 -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 158.58 149.99 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.95 -33.93 4.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.97 ' HB1' ' HE3' ' A' ' 127' ' ' LYS . . . -62.87 -32.26 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -50.34 -34.54 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -64.26 -57.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.781 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -57.76 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.97 ' HE3' ' HB1' ' A' ' 123' ' ' ALA . 1.1 mptm? -42.67 -50.79 5.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 1.208 ' CZ ' HD23 ' A' ' 117' ' ' LEU . 6.3 t80 -100.33 -90.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.8 OUTLIER -95.54 89.71 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 132' ' ' ARG . 2.8 pp -48.61 -157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.62 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 3.6 mp0 -54.18 -65.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -34.53 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.956 ' HG2' HD11 ' A' ' 14' ' ' ILE . 15.5 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 2.9 pt20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.738 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -140.25 -51.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.975 HG21 ' CH2' ' A' ' 113' ' ' TRP . 29.8 m -99.78 111.3 23.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.944 HG22 ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm -100.89 115.15 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.9 OUTLIER -97.27 104.35 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.944 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -104.6 136.37 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -103.4 154.32 19.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.75 HG22 HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -104.73 140.31 38.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.624 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -149.61 63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 53.0 155.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.238 HD12 ' CG ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -168.31 -69.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.739 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -152.0 -127.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.673 ' C ' ' OE1' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -55.24 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 10.5 m120 -84.11 89.14 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.043 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.9 mm -43.27 -29.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.39 -45.26 26.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.811 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 t -65.84 -71.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.238 ' CG ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -39.53 -34.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.765 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -47.08 -87.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.631 ' O ' HD12 ' A' ' 34' ' ' LEU . 45.6 m -95.16 -47.63 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.4 mm? -36.9 -38.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.896 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 6.3 mm100 -78.75 -46.11 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' CD1' ' OE1' ' A' ' 131' ' ' GLN . 5.6 tp -51.8 -43.12 62.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.958 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -78.86 -20.21 50.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -0.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -94.43 -74.98 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.84 -166.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.794 HG13 ' N ' ' A' ' 39' ' ' SER . 2.8 p -164.24 -145.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.794 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.0 m 94.62 106.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -46.15 121.96 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HB3' ' C ' ' A' ' 133' ' ' LYS . 2.5 mmt85 -151.1 -99.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.858 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -93.73 174.75 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.07 120.74 39.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.958 HG11 HD21 ' A' ' 34' ' ' LEU . 33.2 t -87.84 126.73 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -111.23 115.79 29.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.81 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -107.67 109.92 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -135.51 145.99 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.583 ' HB3' ' CB ' ' A' ' 18' ' ' THR . 9.0 p30 -120.55 118.7 30.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -168.31 163.64 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CD1' ' O ' ' A' ' 92' ' ' MET . 0.8 OUTLIER -71.76 114.53 29.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 14.8 p -57.68 146.76 29.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.743 ' HA ' HD22 ' A' ' 56' ' ' LEU . 48.8 p90 -55.13 -24.01 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 107.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -45.97 -63.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -88.33 -30.72 19.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.963 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -62.99 -23.7 67.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -45.65 -49.69 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.3 -54.27 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.769 ' HE3' HG12 ' A' ' 111' ' ' VAL . 3.9 mmt -65.84 -28.78 69.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -55.69 -41.91 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -39.25 80.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -84.38 51.39 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.06 145.66 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -35.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -88.83 -18.91 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . 33.71 -99.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.91 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 -42.14 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t -45.86 -38.82 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -41.49 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 109' ' ' LEU . 2.9 mm? -72.94 -55.38 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 2.4 mm100 -51.0 -32.28 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -78.79 -20.95 48.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -68.1 -40.04 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 1.061 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -80.8 163.03 57.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -75.01 144.18 29.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.48 56.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -46.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 4.3 p-10 -40.49 -28.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 1.3 p -77.85 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.061 HG11 HG22 ' A' ' 74' ' ' ILE . 9.3 p -75.68 -32.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.1 tm? -59.73 -13.61 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.77 -103.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.592 ' CA ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -135.67 3.91 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -61.79 -141.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 89' ' ' THR . 2.0 m170 -30.53 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.892 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.76 -30.83 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -40.85 -158.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.945 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.08 26.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.88 -45.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.813 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.1 m-85 -106.83 -28.58 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.512 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -45.41 -101.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.763 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.51 -46.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.3 OUTLIER -128.64 102.34 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.22 -47.89 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 1.051 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.48 -25.18 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.744 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 47.8 t -98.66 -35.21 10.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.775 HG23 ' CE1' ' A' ' 90' ' ' PHE . 6.3 t -80.69 -26.62 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.76 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 172.35 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -58.25 -165.83 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 90' ' ' PHE . 1.5 tt 37.64 -95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.612 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -145.99 140.11 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.439 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . 2.7 p30 -85.58 107.64 13.23 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.828 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -14.56 21.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.828 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 31.78 44.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 1.8 mm-40 -116.28 159.46 21.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . . . -111.89 128.64 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.9 mm? -94.15 117.0 29.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.866 ' CH2' HD11 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -105.65 130.22 53.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -157.07 131.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 110' ' ' TRP . 5.1 t70 -128.48 142.3 51.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.975 ' CH2' HG21 ' A' ' 13' ' ' THR . 12.4 p-90 -125.77 18.35 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.62 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -92.02 -46.95 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.617 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.3 m-20 -116.8 21.17 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.617 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 19.6 pttt 54.6 53.33 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' CD1' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -131.07 141.29 50.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 111' ' ' VAL . 95.6 t -148.63 169.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.616 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 176.92 151.08 8.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.1 p-10 -93.78 155.16 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER 81.39 156.35 0.12 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.454 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.02 -41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.92 -26.65 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.63 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -55.84 -49.67 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -49.27 -54.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.693 ' HA ' ' CB ' ' A' ' 130' ' ' ILE . 1.1 t0 -50.85 -46.72 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.545 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.82 -55.16 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.743 ' CB ' HD13 ' A' ' 129' ' ' ILE . 20.4 m-30 -87.76 -81.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.866 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -119.71 87.34 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.903 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.67 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.903 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -54.8 2.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.797 HH21 HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -167.37 71.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.672 ' HB2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HG3' ' OH ' ' A' ' 128' ' ' TYR . 18.5 Cg_endo -75.0 -158.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.5 -43.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' OE1' ' A' ' 114' ' ' GLU . 39.4 m -103.28 114.54 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 16' ' ' LEU . 6.0 mm -101.97 113.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.95 106.15 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 14' ' ' ILE . 2.5 mm? -110.99 126.04 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.916 ' CD2' HD21 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -99.69 133.32 44.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.911 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.1 m -91.89 144.6 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' PRO . 59.8 t30 -140.91 54.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.792 ' C ' HG13 ' A' ' 21' ' ' ILE . 21.1 t70 64.57 168.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.039 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 179.17 -91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -138.93 -135.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 22' ' ' ALA . 53.2 m -33.02 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.711 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -87.18 92.89 9.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.005 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.84 -36.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.6 -58.42 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.945 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -60.61 -67.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.862 ' HB3' HD12 ' A' ' 21' ' ' ILE . 33.0 tp60 -40.05 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 1.039 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.669 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 m -79.83 -57.09 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 108.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.945 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -33.1 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 31.1 mm-40 -79.19 -50.32 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -54.08 -49.51 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -71.0 -17.19 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.0 tttp -59.89 -6.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.569 ' HA3' HE21 ' A' ' 131' ' ' GLN . . . -66.89 -59.8 6.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.446 ' H ' ' CG ' ' A' ' 131' ' ' GLN . 63.0 m-20 -159.14 74.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -90.5 176.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER 177.12 -46.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 162.32 -99.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.662 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.78 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.2 mmp_? 63.94 -64.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -138.13 175.48 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.65 116.35 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 46' ' ' ILE . 98.8 t -91.65 136.23 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.717 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -105.97 113.9 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.81 101.4 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.65 143.77 39.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 0.4 OUTLIER -104.86 116.59 32.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.809 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -165.87 155.44 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 94' ' ' LEU . 35.7 t80 -73.77 136.26 77.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.05 65.62 6.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.502 HG22 ' HD2' ' A' ' 50' ' ' PHE . 33.0 p -58.96 143.38 48.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 1.6 m95 -55.1 -27.02 41.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -58.82 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.43 -51.61 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.775 ' C ' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.04 -23.85 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.546 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -42.54 -26.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.0 m-85 -67.95 -51.93 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.636 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -75.54 -29.81 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.01 -39.87 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.53 -45.97 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -56.85 -46.96 81.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -127.12 139.57 35.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.14 4.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.711 ' HA ' HG12 ' A' ' 68' ' ' VAL . 1.2 mt-30 -97.06 13.08 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -58.92 -41.49 96.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 65' ' ' GLN . 3.0 p -47.42 -30.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -67.27 -37.01 82.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -76.37 -53.85 7.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.49 -37.79 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.921 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.01 -17.4 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.606 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.776 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -84.71 141.67 38.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.3 Cg_endo -75.01 59.69 5.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 178.21 37.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.921 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.3 -61.5 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 6.6 t70 -40.63 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.524 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -87.07 -58.1 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.915 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 7.7 p -81.15 -43.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.857 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -55.95 -5.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -127.67 -97.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.624 ' C ' HG22 ' A' ' 86' ' ' THR . 10.7 m-85 -168.94 8.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.732 ' O ' ' N ' ' A' ' 86' ' ' THR . 4.1 ttpp -55.48 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.632 ' O ' ' CG2' ' A' ' 89' ' ' THR . 18.4 m-70 -36.96 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.108 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.3 t -53.44 -16.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.112 ' HB2' ' HD2' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -31.88 -141.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.112 ' HD2' ' HB2' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.07 19.26 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.632 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.1 t -80.0 -49.53 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 1.132 ' CD1' HD12 ' A' ' 94' ' ' LEU . 8.5 m-85 -102.0 -27.84 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -44.67 174.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.81 ' HE1' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 37.01 -78.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.019 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -112.37 102.91 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.132 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.54 -30.31 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.65 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -45.24 -27.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -66.11 -32.09 73.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.663 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 16.7 m -97.18 -49.88 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.649 HG23 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -57.19 -33.37 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.675 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -41.44 -24.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 149.75 -16.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.722 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -56.96 -161.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 26.99 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.877 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -140.72 151.19 44.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER -86.98 99.92 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.877 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.06 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.716 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 172.81 32.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 20.3 mm-40 -107.06 149.63 27.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -128.89 129.23 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.916 HD21 ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -122.9 127.86 49.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 3.9 p-90 -101.66 138.46 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' SER . 13.7 m -148.68 115.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.522 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -99.26 150.24 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.533 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 7.1 t90 -123.23 6.0 9.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -88.2 -46.25 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.573 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 12.3 m-20 -113.76 19.41 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 9.6 ptpt 53.04 53.87 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.942 HD13 ' CE1' ' A' ' 128' ' ' TYR . 2.0 mt -113.78 139.15 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 59' ' ' MET . 17.1 t -148.32 155.14 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.99 113.51 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 7.7 p-10 -68.85 -175.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER 77.8 146.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.555 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.06 -41.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.24 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.711 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 1.6 t0 -59.2 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.767 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.19 -51.97 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.905 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -49.21 -53.72 20.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 32.9 mmtt -57.67 -55.94 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 129' ' ' ILE . 2.9 t80 -67.88 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.949 HG13 ' CD2' ' A' ' 128' ' ' TYR . 1.2 pp -137.61 92.7 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.905 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -54.91 -163.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.783 ' N ' HG12 ' A' ' 130' ' ' ILE . 1.7 mp0 -53.72 -50.44 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.827 ' HG3' HD11 ' A' ' 130' ' ' ILE . 2.9 ptp180 -103.2 57.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.797 ' HG3' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.06 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' H ' ' CB ' ' A' ' 114' ' ' GLU . 48.6 mtt-85 -134.96 -68.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -89.79 118.6 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.939 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 5.6 mm -98.21 110.94 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.679 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -100.69 103.36 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.051 HD21 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -115.97 146.86 41.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.642 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-85 -123.73 150.87 43.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.855 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -99.07 139.8 34.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.7 t-20 -144.52 64.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.881 ' HB2' HG13 ' A' ' 98' ' ' VAL . 9.7 t0 55.73 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.129 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -177.85 -91.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -137.93 -139.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.3 m -31.31 -92.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.677 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 31.2 m120 -82.54 101.44 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.129 ' O ' HD11 ' A' ' 21' ' ' ILE . 11.6 mm -47.83 -35.48 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.809 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -82.62 -58.49 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.746 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -57.43 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.98 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.8 tp60 -39.93 -32.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 1.007 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -55.18 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.782 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -93.71 -53.65 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 108.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.746 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 2.6 mm? -33.35 -42.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.767 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.0 mm100 -81.69 -30.85 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -69.95 -51.38 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.942 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -77.25 -9.93 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -50.94 -14.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -68.34 -77.23 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 131' ' ' GLN . 1.5 m-20 -120.07 173.84 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -178.85 158.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.619 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.7 t 149.28 167.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.1 m80 -37.52 105.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HG3' ' HD2' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -158.15 -66.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.685 ' CD2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -162.21 169.07 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -98.15 119.05 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.942 HG11 HD21 ' A' ' 34' ' ' LEU . 12.9 t -93.93 126.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -101.19 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -108.98 105.16 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.642 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.63 136.82 33.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.525 ' HA ' ' HB ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -92.41 117.42 29.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -167.67 161.17 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 10.3 t80 -72.81 133.44 82.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 62.21 5.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 1.06 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.3 p -59.88 128.29 36.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.744 ' O ' ' N ' ' A' ' 57' ' ' GLN . 4.7 m-90 -61.88 -16.69 52.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.82 -56.29 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -42.81 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.06 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.2 -18.17 65.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' TRP . 20.5 tp60 -39.17 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LEU . 23.1 m-85 -71.09 -52.77 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -76.5 -35.42 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -54.73 -23.95 20.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -86.92 -44.96 11.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -67.74 -19.39 65.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -127.0 132.65 24.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.317 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.87 4.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.659 ' HA ' HG22 ' A' ' 68' ' ' VAL . 8.8 mt-30 -95.74 12.09 31.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.557 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.88 -47.36 91.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.107 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -75.0 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 65' ' ' GLN . 4.2 m -48.29 -29.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 6.0 t -67.05 -33.81 76.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 56' ' ' LEU . 1.9 mt -75.52 -52.79 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.72 -38.36 87.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.835 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.9 mmm180 -80.66 -16.32 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -68.87 -40.76 79.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.632 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -74.02 166.6 43.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB2' ' CE3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -74.93 -64.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 59.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.892 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.97 -60.5 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.34 -27.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.535 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -78.6 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.97 HG23 ' OG1' ' A' ' 86' ' ' THR . 8.5 p -79.03 -30.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -59.77 -9.37 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -132.35 -88.33 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.679 ' C ' HG22 ' A' ' 86' ' ' THR . 3.2 t80 -173.87 9.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.741 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.25 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.2 m-70 -36.42 -18.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.125 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.4 t -52.47 -15.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.203 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 0.8 OUTLIER -31.12 -143.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.203 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -74.99 18.7 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.3 t -79.49 -49.77 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 1.029 ' CD1' HD12 ' A' ' 94' ' ' LEU . 2.4 m-85 -100.47 -21.45 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.749 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -44.94 -174.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.895 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 28.88 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.64 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.4 m-20 -108.53 102.25 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.029 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.18 -27.32 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.78 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 36.2 tp60 -48.15 -31.17 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 19.2 mmtp -62.1 -35.1 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.0 m -88.3 -26.46 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 20' ' ' ASP . 65.8 t -75.8 -16.22 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.78 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 5.2 mm100 -46.22 -12.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.77 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 122.91 10.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -90.41 -122.94 2.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.759 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 2.31 -79.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.808 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -143.61 165.0 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -103.57 86.16 1.1 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.808 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.99 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -157.76 39.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 4.1 mm-40 -119.79 152.58 37.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.0 142.88 46.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.14 132.62 51.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.939 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.7 t-105 -128.77 122.61 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.84 HG12 ' HB ' ' A' ' 118' ' ' VAL . 34.6 m -140.2 131.02 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.754 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -112.69 133.93 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.69 3.85 25.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.55 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.6 tp10 -91.05 -52.62 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.679 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -116.95 18.24 14.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 51.81 54.79 10.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 2.6 tp -114.58 111.5 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.84 ' HB ' HG12 ' A' ' 111' ' ' VAL . 2.8 m -136.75 165.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.42 5.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 9.8 p-10 -83.91 160.7 21.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 86.88 151.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -74.94 -41.06 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.46 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.757 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -53.63 -40.91 66.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 1.051 HD11 HD21 ' A' ' 16' ' ' LEU . 1.4 mt -54.66 -58.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.977 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -47.68 -43.55 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -47.47 -55.73 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.757 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -91.47 -76.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 125' ' ' ILE . 1.3 pp -119.96 95.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.977 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -59.92 -158.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.618 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.4 mp0 -53.51 -44.97 69.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.734 ' O ' HD11 ' A' ' 130' ' ' ILE . 6.4 tmm_? -112.19 93.94 4.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.695 ' HD2' HG22 ' A' ' 129' ' ' ILE . 1.9 tmtp? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' HB3' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 148.67 35.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -120.39 -88.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.747 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 m -90.57 120.66 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.718 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 mm -96.99 121.78 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.8 105.08 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 110' ' ' TRP . 1.3 mm? -108.08 139.14 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.4 m-85 -111.8 158.21 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 29' ' ' LYS . 1.8 m -106.08 141.0 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.57 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 m-80 -148.78 71.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER 51.15 163.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.193 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 179.99 -98.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.46 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.646 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.5 t 15.68 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.634 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.6 m-20 -90.31 98.35 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.193 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.66 -31.05 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.7 -56.96 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 m -55.77 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.031 ' HB3' HD12 ' A' ' 21' ' ' ILE . 6.1 tp-100 -45.15 -30.95 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.993 ' CE ' ' HB2' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -52.02 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 m -95.12 -50.57 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.0 mm? -34.51 -40.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.723 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 5.5 mm-40 -79.69 -44.86 20.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.907 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -52.81 -41.3 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.63 -23.55 49.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -8.8 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.25 -50.79 3.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.761 ' HB2' HE21 ' A' ' 131' ' ' GLN . 21.6 m-20 -106.42 -100.11 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 132' ' ' ARG . 1.5 p -176.06 168.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.624 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 87.4 p -128.59 153.99 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.638 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.1 m-70 172.07 -98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.738 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -14.64 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 44' ' ' VAL . 3.5 p90 -106.24 165.72 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.56 132.2 48.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 42' ' ' PHE . 36.5 t -87.88 137.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -104.67 113.07 26.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.854 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -112.8 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.75 137.21 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.646 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -103.94 116.84 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -165.56 155.59 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.32 110.17 6.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.675 ' HB2' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 60.98 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.728 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.12 145.45 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.917 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -59.89 -25.65 65.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -45.84 -59.64 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 58' ' ' TYR . 1.2 mt-30 -86.17 -41.17 14.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.017 ' C ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -51.19 -20.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -39.22 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.816 ' CE2' ' CE2' ' A' ' 113' ' ' TRP . 8.1 p90 -71.66 -45.4 62.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -76.8 -33.22 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.655 ' HB2' HD11 ' A' ' 56' ' ' LEU . 15.9 ttt180 -55.8 -20.08 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 -45.98 9.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -62.99 -11.76 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.635 ' HB2' HG22 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -161.48 141.5 7.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -29.63 8.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.614 ' HB3' HG12 ' A' ' 68' ' ' VAL . 3.6 mt-30 -96.73 11.38 35.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -47.31 -53.17 12.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.861 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 -49.03 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.993 HG22 ' HD2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -48.96 -31.34 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -67.79 -34.33 76.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.6 mt -73.54 -46.8 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.569 ' OE1' ' CZ3' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -65.53 -42.85 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.993 ' HD2' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -73.95 -18.34 60.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.77 ' HG3' HD22 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -64.88 -41.91 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.834 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -64.29 173.05 1.63 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.834 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -41.47 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.644 ' H ' HG23 ' A' ' 74' ' ' ILE . 3.6 mtpt -109.46 87.84 2.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -67.75 -61.1 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -40.95 -27.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.523 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.35 -61.58 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 86' ' ' THR . 7.1 p -79.14 -31.86 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -57.95 -15.49 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -114.54 -100.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.654 ' C ' ' CG2' ' A' ' 86' ' ' THR . 1.1 t80 -142.7 4.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 tttt -63.42 -139.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 1.02 ' CD2' HD11 ' A' ' 102' ' ' LEU . 8.6 m170 -28.56 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.911 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.35 -29.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.997 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.59 -158.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.97 20.69 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.38 -43.93 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.846 ' CE1' HG23 ' A' ' 98' ' ' VAL . 9.4 m-85 -104.59 -20.66 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.35 -140.44 0.0 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.772 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -17.39 -50.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.646 ' N ' ' O ' ' A' ' 91' ' ' GLY . 2.1 m-20 -115.69 104.65 11.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -91.64 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.738 ' O ' ' N ' ' A' ' 99' ' ' GLN . 60.7 mm-40 -52.87 -27.93 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.605 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 2.1 mmmm -59.44 -29.87 68.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.701 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 42.2 t -104.09 -41.54 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.846 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -75.73 -16.12 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 95' ' ' GLN . 6.4 pt20 -35.28 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' VAL . 10.4 tpt180 158.07 -21.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -64.07 -148.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 29.35 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.697 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -141.63 153.13 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.1 p30 -86.38 108.82 19.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.5 Cg_endo -75.01 -32.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.19 30.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 105' ' ' PRO . 28.9 mt-10 -113.97 153.84 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.993 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.26 133.7 55.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -91.58 115.26 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.82 ' CZ2' ' CE2' ' A' ' 128' ' ' TYR . 5.9 p-90 -102.74 119.39 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 15' ' ' SER . 4.0 m -145.41 130.64 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.817 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -122.74 142.17 51.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.816 ' CE2' ' CE2' ' A' ' 58' ' ' TYR . 2.0 m95 -98.14 -95.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' HB2' ' A' ' 113' ' ' TRP . 29.0 mt-10 -46.64 -14.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.817 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -87.75 -4.99 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER 44.43 38.69 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -138.21 123.6 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.722 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -143.84 159.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.571 ' HA3' ' NE1' ' A' ' 110' ' ' TRP . . . 169.97 -167.3 40.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.9 t30 -128.56 163.65 24.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.0 mt-10 91.87 143.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.64 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.57 -39.89 74.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.603 HD11 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.64 -55.44 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.815 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -52.14 -45.95 65.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.553 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -50.99 -60.4 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.82 ' CE2' ' CZ2' ' A' ' 110' ' ' TRP . 36.3 m-85 -79.15 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -132.94 97.46 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.854 HD12 ' H ' ' A' ' 132' ' ' ARG . 0.5 OUTLIER -43.65 -125.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.761 HE21 ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -104.9 -24.94 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.854 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -125.85 -7.26 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.928 ' HB2' HG22 ' A' ' 129' ' ' ILE . 4.2 tptm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HB2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.04 138.42 22.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.584 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 8.1 mtt180 -111.31 -49.3 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.599 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 31.0 m -123.89 117.92 25.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 11' ' ' PRO . 6.4 mm -93.2 108.75 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.569 ' CB ' HG12 ' A' ' 111' ' ' VAL . 19.5 m -102.53 96.19 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 HG22 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -102.96 143.49 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 70.8 m-85 -121.11 153.44 37.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.915 HG22 HG22 ' A' ' 25' ' ' ILE . 1.2 m -97.35 141.76 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.649 ' OD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -146.62 74.41 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 21' ' ' ILE . 6.2 t0 67.23 -179.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.95 HG21 ' HB3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER 167.15 -76.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.832 ' N ' HG22 ' A' ' 21' ' ' ILE . . . 170.45 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 t -66.0 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.647 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.9 m-20 -113.28 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.94 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 2.2 mp -58.84 -41.26 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -72.25 -53.62 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.92 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -61.31 -70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.95 ' HB3' HG21 ' A' ' 21' ' ' ILE . 2.7 tt0 -42.71 -40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.844 ' HA ' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -42.36 -82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -98.26 -52.85 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -32.25 -44.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 12.3 mm-40 -79.0 -44.65 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.8 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -51.93 -44.45 63.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.902 HD21 HG21 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.1 -19.24 47.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' GLN . 10.4 tttt -59.04 -12.23 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.12 -90.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB3' ' NE2' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -92.71 -161.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 39' ' ' SER . 0.7 OUTLIER -141.84 153.69 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER 173.29 -146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.565 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 0.8 OUTLIER 158.75 117.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -171.44 -36.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -106.35 171.4 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.37 122.85 47.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.902 HG21 HD21 ' A' ' 34' ' ' LEU . 9.6 p -102.18 140.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -123.53 114.33 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 46' ' ' ILE . 3.0 mp -111.77 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.666 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.82 137.58 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' H ' ' A' ' 18' ' ' THR . 10.6 p30 -91.78 123.04 34.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.6 mmt-85 -162.38 159.77 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.729 ' CB ' ' HB3' ' A' ' 94' ' ' LEU . 54.0 p90 -80.87 112.7 34.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.778 ' HG3' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.07 68.13 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.99 151.08 36.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.775 ' HA ' HD22 ' A' ' 56' ' ' LEU . 9.5 p90 -68.45 -23.96 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.03 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -56.69 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.86 -42.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.854 ' CD1' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.53 -23.23 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -42.63 -27.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' LEU . 14.3 m-85 -74.09 -54.98 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.802 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mtt -71.84 -33.42 68.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' HA ' ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -50.89 -38.01 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -73.49 -42.59 61.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -86.32 15.09 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.1 t -139.46 135.64 17.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 108.239 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.31 3.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.837 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -80.82 -22.74 39.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 60' ' ' ARG . . . 35.45 -119.78 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -34.75 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -46.81 -30.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -74.74 -45.92 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.854 HD23 ' CD1' ' A' ' 56' ' ' LEU . 2.4 mm? -69.16 -48.7 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 13.8 mm-40 -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 5.5 mmt180 -59.48 -21.32 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.51 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 2.2 tp-100 -73.07 -38.24 66.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.992 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -81.95 164.33 49.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.573 ' CG ' ' CB ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.04 131.51 14.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 80' ' ' VAL . 12.2 tttt 79.44 63.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -56.44 -62.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.617 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.9 p-10 -44.54 -25.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.4 -61.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.992 HG11 HG22 ' A' ' 74' ' ' ILE . 7.2 p -75.47 -38.91 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.08 -16.13 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.25 -106.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.657 ' C ' ' CG2' ' A' ' 86' ' ' THR . 5.6 m-85 -135.38 3.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -62.21 -143.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.954 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.4 m170 -27.84 -32.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.92 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.77 -27.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.92 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -40.18 -157.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.913 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 26.54 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.37 -43.1 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 74' ' ' ILE . 13.8 m-85 -105.38 -29.92 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 50' ' ' PHE . . . -47.38 -105.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.789 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -30.67 -51.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.717 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -127.14 101.32 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.01 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -102.0 -23.02 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.859 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -71.45 -63.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 100' ' ' ARG . 10.2 mmmm -48.94 -21.85 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.65 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -89.57 -54.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 74' ' ' ILE . 29.3 t -77.4 -60.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.764 ' HG3' ' CB ' ' A' ' 95' ' ' GLN . 5.5 mm100 -45.24 -19.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 176.02 85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . 161.57 171.81 28.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.954 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 46.26 -92.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CB ' ' CG ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -142.98 154.77 44.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 107.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 20' ' ' ASP . 6.0 m-20 -101.8 105.67 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.788 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.93 -7.86 19.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.788 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.7 54.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 9.7 mm-40 -139.83 158.56 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.76 136.32 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.778 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.48 135.77 33.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.674 ' CE3' ' OD1' ' A' ' 112' ' ' ASP . 13.9 p-90 -125.96 118.02 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.944 HG23 HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -134.6 133.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.733 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -129.94 133.31 46.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.644 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER -102.05 -77.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -0.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.733 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.94 -12.06 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 5.9 ptmt 51.83 36.2 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.07 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -135.58 120.78 18.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.944 HG13 HG23 ' A' ' 111' ' ' VAL . 47.6 t -133.14 168.88 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.613 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 160.22 165.2 16.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.647 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 16.1 p-10 -118.61 114.14 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 148.36 145.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.727 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.98 -30.62 7.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.478 ' HB1' ' CE ' ' A' ' 127' ' ' LYS . . . -66.59 -26.95 67.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.643 ' OD2' ' CD1' ' A' ' 110' ' ' TRP . 56.6 m-20 -56.24 -51.81 66.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.8 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.31 -54.28 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.706 ' HA ' HG22 ' A' ' 130' ' ' ILE . 4.7 t70 -51.19 -56.33 13.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -52.83 -51.25 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 1.07 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.16 -87.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -116.12 91.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 129' ' ' ILE . 1.8 pp -41.52 -133.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.695 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.82 -55.93 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.94 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -151.94 116.57 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.54 ' O ' ' CD ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 1.6 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.539 ' HB3' ' HB2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.617 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 7.5 ttt-85 -144.26 -54.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' HD13 ' A' ' 14' ' ' ILE . 53.7 m -93.95 112.7 24.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.789 HG23 ' OD1' ' A' ' 112' ' ' ASP . 2.7 mm -100.89 112.81 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB3' HG12 ' A' ' 111' ' ' VAL . 14.9 t -98.69 100.63 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.963 ' CD2' HD11 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -103.84 134.41 47.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CB ' HD13 ' A' ' 109' ' ' LEU . 30.5 m-85 -104.01 154.18 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.65 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.8 m -97.3 143.31 28.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.598 ' OD1' HD11 ' A' ' 109' ' ' LEU . 1.2 m120 -149.25 39.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.961 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.5 t0 54.54 154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.044 HD13 ' HB3' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -162.71 -41.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' ' 25' ' ' ILE . . . -172.8 -133.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ALA . 5.6 t -36.41 -89.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.723 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -81.94 101.19 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.997 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -44.45 -46.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -78.62 -63.26 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.811 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -49.24 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.044 ' HB3' HD13 ' A' ' 21' ' ' ILE . 43.3 tp60 -40.48 -32.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 1.066 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.81 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.9 t -93.17 -53.19 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' C ' ' A' ' 27' ' ' SER . 2.7 mm? -32.95 -36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.861 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.3 mm100 -82.35 -42.68 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER -58.6 -45.73 88.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.937 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -75.23 -18.67 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 54.5 tttt -56.77 -12.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -74.35 -92.52 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.787 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.4 m-20 -78.68 -167.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 37' ' ' ASP . 2.1 t -165.57 152.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER 170.16 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 41' ' ' ARG . 11.3 p-80 -122.89 -111.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER 76.3 -69.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.5 175.96 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.12 139.12 34.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.937 HG11 HD21 ' A' ' 34' ' ' LEU . 92.5 t -90.06 142.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.786 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -98.97 116.79 32.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 2.1 mp -117.72 97.91 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.686 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -146.7 143.55 28.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.55 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 5.2 p30 -85.49 123.57 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.0 tpt180 -132.85 152.07 51.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.86 141.2 54.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.01 59.28 5.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 1.049 ' O ' HD22 ' A' ' 56' ' ' LEU . 52.8 p -100.83 128.37 46.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.614 ' O ' ' N ' ' A' ' 57' ' ' GLN . 21.9 p90 -71.84 -19.79 61.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 37.1 t0 -50.65 -57.46 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HB3' HD13 ' A' ' 56' ' ' LEU . 8.6 tp60 -82.18 -51.02 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.03 -13.85 19.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 53' ' ' TRP . 5.5 tt0 -36.68 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.9 t80 -64.81 -56.15 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.823 ' HB3' HG21 ' A' ' 118' ' ' VAL . 3.6 mmt -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CG ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -58.97 -39.98 83.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.431 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -65.77 -44.96 84.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 p -87.63 43.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -175.28 138.68 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 108.319 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -92.26 11.02 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.632 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -12.39 -94.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 18.4 Cg_endo -74.98 -28.37 9.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.682 HG12 ' HD3' ' A' ' 72' ' ' ARG . 14.0 t -43.98 -52.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 21.4 m -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.971 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.81 -53.41 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -65.43 -54.84 22.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.682 ' HD3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -55.14 -22.62 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 69' ' ' SER . 2.8 mm100 -69.61 -42.03 74.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -66.81 169.89 7.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 21.9 mmtt -89.01 56.45 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.51 -63.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.622 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 9.6 t70 -39.49 -28.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -82.08 -59.08 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 74' ' ' ILE . 5.2 p -75.81 -24.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.883 ' N ' ' O ' ' A' ' 77' ' ' LEU . 5.3 tp -63.39 4.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -140.4 -102.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.68 ' C ' ' CG2' ' A' ' 86' ' ' THR . 92.1 m-85 -136.21 1.12 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.95 -139.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.891 ' CG ' HD11 ' A' ' 102' ' ' LEU . 34.7 m170 -31.05 -31.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.916 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.38 -29.14 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.916 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -38.74 -160.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.99 25.04 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -96.34 -42.19 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.701 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -105.53 -28.78 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.629 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -49.65 -116.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.718 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -25.35 -48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.635 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -122.18 101.84 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.43 -56.18 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 1.03 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -55.54 -29.38 58.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 15.1 mmmt -61.84 -28.48 69.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.684 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.2 m -96.47 -47.09 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 94' ' ' LEU . 2.7 t -63.01 -33.09 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.645 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.31 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 152.55 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -54.45 -107.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.891 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -28.7 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.679 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -143.59 158.36 43.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 18.6 p-10 -105.25 91.48 4.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.817 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -150.06 59.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -141.18 150.18 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.53 126.26 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -94.37 128.67 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ3' ' CE2' ' A' ' 128' ' ' TYR . 18.5 p-90 -106.41 142.34 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -158.46 127.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.789 ' OD1' HG23 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -128.95 140.62 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.679 ' CG ' ' HE1' ' A' ' 59' ' ' MET . 0.4 OUTLIER -115.37 12.51 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.617 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -91.43 -46.65 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -113.14 20.1 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 53.12 41.81 32.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.14 HD13 ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -109.73 130.36 55.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 111' ' ' VAL . 24.5 t -144.26 150.82 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 174.6 -162.0 31.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 73' ' ' GLN . 10.9 p-10 -137.45 -175.6 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 2.2 tt0 77.94 142.02 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.99 -32.91 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.439 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -67.6 -27.66 67.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.734 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -54.72 -47.2 74.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.963 HD11 ' CD2' ' A' ' 16' ' ' LEU . 6.5 mt -50.75 -53.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 2.3 t0 -50.45 -54.27 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.41 -55.83 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 1.14 ' CE1' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -66.39 -79.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.878 HG13 ' CG ' ' A' ' 128' ' ' TYR . 1.1 pp -144.17 85.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.923 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -43.15 169.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.923 ' N ' HG12 ' A' ' 130' ' ' ILE . 5.8 pt20 -36.71 -45.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.875 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -73.82 -60.62 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.892 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.747 ' N ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HA ' ' HB3' ' A' ' 114' ' ' GLU . 18.3 Cg_endo -75.01 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -146.74 -41.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.4 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 49.9 m -109.11 117.08 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.669 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.0 mm -99.31 114.2 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.22 99.73 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 109' ' ' LEU . 3.4 tp -118.94 124.7 47.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.3 m-30 -96.73 153.29 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.885 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -105.81 144.09 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.525 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -141.35 71.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.782 ' C ' HG13 ' A' ' 21' ' ' ILE . 10.3 t70 50.12 170.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -179.54 -97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -131.27 -144.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.6 t -24.1 -84.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -89.43 94.83 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.866 ' C ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.33 -36.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.885 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -85.43 -60.61 1.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.73 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -54.41 -68.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.862 ' C ' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -43.51 -26.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.934 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -57.4 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.994 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -95.27 -50.97 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 108.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.734 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.1 mm? -36.61 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.77 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 21.5 mm-40 -79.83 -49.46 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 122' ' ' PRO . 3.5 tp -59.28 -48.87 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.026 HD23 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -74.49 -12.94 60.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -55.01 -11.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -60.85 -100.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -91.98 -173.66 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 1.0 OUTLIER 171.99 157.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.2 p 156.19 171.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -36.79 131.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.574 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.761 ' CG ' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tpm_? 175.0 -144.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.761 ' CE1' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -93.24 173.82 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.6 129.71 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG12 ' C ' ' A' ' 133' ' ' LYS . 0.7 OUTLIER -95.47 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.743 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -109.52 116.13 31.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.994 HG23 ' SG ' ' A' ' 30' ' ' CYS . 6.0 mm -113.97 101.39 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -142.8 141.27 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.53 ' HB2' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -106.59 119.81 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 ptt180 -163.8 158.85 20.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CD2' ' C ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -68.44 110.44 5.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.0 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.592 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -58.54 155.31 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.607 ' N ' ' CE3' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -60.15 -24.05 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -62.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.6 -36.61 20.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.993 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.65 -18.02 61.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.7 m-85 -62.71 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.941 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -78.28 -31.33 48.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.768 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.07 -28.5 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -89.48 -46.58 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 m -61.96 -27.58 68.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -130.93 141.7 42.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 27.1 tt0 -96.95 10.9 37.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.618 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -46.7 -50.99 13.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.669 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.04 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 65' ' ' GLN . 3.2 t -48.56 -31.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -62.02 -32.0 72.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.704 HD21 ' HG ' ' A' ' 56' ' ' LEU . 1.1 mm? -75.83 -52.47 10.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.49 -39.09 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.73 ' CD ' HD21 ' A' ' 77' ' ' LEU . 1.4 mmm180 -82.16 -20.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -74.49 -40.4 61.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.234 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -78.3 165.82 47.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.516 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.93 177.7 8.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 39.31 62.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.54 -25.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -77.55 -59.55 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.994 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 74' ' ' ILE . 6.4 p -82.93 -33.14 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -54.54 -5.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -127.4 -92.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.573 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -165.84 13.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.722 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.56 -150.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.658 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.2 m80 -35.57 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.064 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -51.11 -18.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.113 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -34.15 -143.49 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.113 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 19.37 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -79.11 -49.07 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.738 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.3 m-85 -97.07 -19.87 18.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.738 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.9 -147.34 0.0 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.701 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -4.47 -65.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER -110.41 106.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.648 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -90.11 -54.05 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.643 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -50.33 -25.69 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.1 mmmm -66.58 -28.08 68.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.72 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -100.33 -41.31 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.61 HG21 HD11 ' A' ' 94' ' ' LEU . 2.3 t -73.52 -25.23 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.643 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.41 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 163.22 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LEU . . . -46.08 -96.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -35.26 -92.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.661 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -149.37 155.8 41.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 108.028 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 2.1 p-10 -95.64 102.43 10.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.719 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -9.71 20.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.04 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -104.79 151.69 23.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.615 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.04 129.62 56.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.3 mt -103.55 114.03 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.808 ' CE3' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -110.27 131.95 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.712 ' HB ' HG22 ' A' ' 118' ' ' VAL . 18.8 m -156.48 127.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' LEU . 4.4 m-20 -105.9 144.33 32.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.44 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 2.2 t90 -116.75 4.84 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.592 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 3.5 mm-40 -90.64 -44.75 9.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -114.15 19.24 16.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.26 50.16 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.669 HD22 ' HH2' ' A' ' 110' ' ' TRP . 1.9 mt -108.53 142.56 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.941 HG21 ' HB3' ' A' ' 59' ' ' MET . 3.2 t -150.02 143.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . -178.24 128.72 1.31 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.8 p-10 -87.75 175.85 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.55 144.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.576 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.99 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.605 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -64.25 -28.94 70.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 2.7 t0 -62.77 -38.51 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.44 -58.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 1.05 ' O ' HG22 ' A' ' 130' ' ' ILE . 3.8 t0 -48.51 -54.19 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 14.1 mmtp -50.77 -49.63 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.99 ' HB3' HD13 ' A' ' 129' ' ' ILE . 33.5 m-85 -86.78 -90.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.99 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -110.77 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -75.16 -169.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.846 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.33 -50.83 28.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.994 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -46.16 -21.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 133' ' ' LYS . 2.5 pm0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 14' ' ' ILE . 18.2 Cg_endo -75.01 131.56 14.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 4.7 ttp180 -71.16 -29.44 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 14' ' ' ILE . 47.4 m -123.95 115.79 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.783 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm -100.88 125.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.924 ' HB3' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.06 98.54 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -109.6 128.33 55.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.648 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -97.84 154.44 17.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.962 HG23 ' CB ' ' A' ' 29' ' ' LYS . 95.2 m -102.1 140.01 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.601 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -136.94 43.04 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.938 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.63 158.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.061 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -156.43 -81.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -129.13 -137.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ALA . 36.8 m -38.21 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.717 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-80 -83.67 103.89 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.061 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -59.4 -42.27 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -76.55 -50.48 13.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 1.023 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.93 -69.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 12.3 tp-100 -40.33 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.962 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -54.55 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.955 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.9 t -89.75 -46.44 8.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.023 HD23 ' HA ' ' A' ' 27' ' ' SER . 1.2 mm? -37.73 -40.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.858 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 2.9 pp0? -69.08 -42.85 75.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD11 ' HB ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -59.42 -55.23 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.955 HD22 ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -65.31 -14.92 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -56.47 -8.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -78.61 -57.77 3.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -133.2 176.01 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -176.63 150.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.1 m 156.26 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 2.0 m80 40.83 -137.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 5.5 tpm_? 90.3 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CE2' HG22 ' A' ' 44' ' ' VAL . 28.3 p90 -92.16 173.75 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.66 125.98 44.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' CE2' ' A' ' 42' ' ' PHE . 16.7 t -89.99 139.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.783 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -100.92 111.38 23.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.803 HD12 ' N ' ' A' ' 46' ' ' ILE . 2.5 mp -116.96 95.76 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -141.96 137.64 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.676 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -96.44 117.08 30.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.19 154.35 10.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 94' ' ' LEU . 13.9 t80 -73.71 136.86 77.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 1.01 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.95 60.19 5.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.9 p -57.26 142.93 41.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.662 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -71.27 -22.49 61.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.61 -59.05 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.31 -38.65 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.18 -18.1 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -40.65 -27.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 56' ' ' LEU . 9.8 m-85 -67.5 -55.24 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.604 ' HE2' HG13 ' A' ' 111' ' ' VAL . 1.5 mtt -76.39 -34.47 58.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -53.81 -26.19 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.87 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -59.19 -38.33 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.2 m -124.41 142.38 40.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.625 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 11.2 mt-30 -81.5 14.34 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -28.36 -92.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.5 Cg_endo -74.89 -30.69 7.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -45.8 -40.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -33.1 54.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.01 HD13 ' HB2' ' A' ' 51' ' ' PRO . 2.0 mt -75.33 -58.83 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.4 mt-30 -54.36 -31.58 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.978 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.76 -19.45 48.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' HD22 ' A' ' 109' ' ' LEU . 2.8 tp60 -65.07 -38.92 92.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.758 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.71 140.08 47.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -74.97 50.4 2.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -165.89 28.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.978 HD13 ' CD ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -43.78 -63.37 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.476 ' N ' HD23 ' A' ' 81' ' ' LEU . 22.7 t70 -40.18 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.552 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -88.12 -59.34 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.636 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.9 p -79.06 -46.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.73 -13.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.93 -105.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.517 ' O ' ' O ' ' A' ' 84' ' ' LYS . 2.1 t80 -141.16 -6.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -57.9 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 1.188 ' CG ' HD11 ' A' ' 102' ' ' LEU . 63.0 m170 -29.7 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.934 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -48.54 -29.89 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.934 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -38.41 -160.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.96 23.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.67 -44.56 10.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.687 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -109.69 -23.9 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.687 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -38.12 -111.37 0.0 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.832 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -19.05 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.75 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.7 OUTLIER -110.53 106.56 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 95' ' ' GLN . 0.1 OUTLIER -66.05 -19.21 65.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 1.084 ' N ' HD23 ' A' ' 94' ' ' LEU . 11.1 tm0? -64.09 -30.72 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 50.2 mmtt -67.46 -20.85 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.641 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.8 t -96.94 -47.83 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -72.95 -22.4 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.638 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -37.3 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.6 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER 152.5 54.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.03 -159.76 9.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.188 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 40.26 -126.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.749 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 14.2 m0 -110.25 158.07 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.514 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 66.7 m-80 -73.83 105.17 1.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.833 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.3 Cg_endo -74.95 -24.46 12.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 5.71 57.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.833 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.8 mm-40 -139.53 152.58 47.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.98 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.76 124.15 37.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.058 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.7 t90 -103.82 129.91 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.924 HG12 ' HB3' ' A' ' 15' ' ' SER . 1.1 t -158.85 131.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.607 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.3 t70 -124.56 148.66 47.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.424 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 1.6 t90 -132.52 7.44 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.1 tm-20 -90.3 -45.28 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -112.67 3.58 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.778 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.7 tttt 69.52 63.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 118' ' ' VAL . 0.3 OUTLIER -131.97 155.56 47.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.513 ' H ' HD23 ' A' ' 117' ' ' LEU . 9.7 m -153.93 165.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 171.21 -163.72 36.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -145.76 167.93 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.28 146.55 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.93 -24.68 67.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -55.05 -40.03 69.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.881 ' HB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -49.77 -52.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -50.76 -50.98 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -57.15 -59.52 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 110' ' ' TRP . 20.3 m-85 -66.29 -74.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.058 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -146.75 83.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.925 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -35.66 168.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.925 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.39 -19.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.772 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -146.25 90.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.78 ' CB ' HG22 ' A' ' 129' ' ' ILE . 3.6 pttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.906 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 151.1 39.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 40.4 mtt180 -118.3 -50.95 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.487 ' C ' HD13 ' A' ' 14' ' ' ILE . 22.9 m -105.86 113.81 27.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.816 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 4.1 mm -100.06 114.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -99.09 105.32 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -112.63 147.2 37.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.618 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 45.9 m-85 -122.14 152.23 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.703 ' CG2' HG22 ' A' ' 25' ' ' ILE . 2.3 m -100.77 140.27 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.713 ' OD1' HD21 ' A' ' 94' ' ' LEU . 2.0 t30 -140.47 61.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.649 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 50.87 160.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.124 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -170.29 -82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' CD ' ' A' ' 28' ' ' GLN . . . -151.0 -138.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 22' ' ' ALA . 12.8 t -33.53 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.2 m-80 -98.2 97.72 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.124 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -57.29 -37.51 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.32 -52.4 7.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -62.99 -64.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.997 ' HB3' HD12 ' A' ' 21' ' ' ILE . 4.1 tt0 -41.94 -32.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.773 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.04 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.691 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.5 t -96.67 -51.23 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 108.256 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 27' ' ' SER . 2.3 mm? -35.86 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.986 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -78.99 -50.22 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.9 tp -52.8 -43.32 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.873 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.46 -15.77 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.371 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 7.8 tttt -57.06 -9.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -88.13 -67.64 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -138.13 102.99 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 131' ' ' GLN . 9.1 p -143.12 171.34 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.529 ' H ' HG22 ' A' ' 38' ' ' VAL . 10.5 t 169.93 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -141.81 134.24 28.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 166.17 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.836 ' CE2' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -155.33 166.69 32.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.873 HG11 HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -100.95 127.34 54.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.756 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -106.52 112.32 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 45' ' ' GLU . 1.6 mp -110.21 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.89 139.68 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.63 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.8 p30 -101.58 121.57 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.758 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -163.75 158.47 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.781 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -70.22 120.68 79.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 48.53 2.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.7 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -60.83 166.63 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -61.31 -26.06 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -49.87 -58.27 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -33.61 21.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.09 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.91 -25.71 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 6.0 pt20 -42.5 -43.53 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.521 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 19.8 m-85 -63.44 -49.28 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE3' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -72.42 -28.68 63.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.78 -34.33 71.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 1.2 p -77.84 -46.41 21.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 55.0 p -83.53 42.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 155.98 129.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.16 3.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 36.8 tt0 -97.55 12.09 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -49.97 -49.87 34.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.02 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 72' ' ' ARG . 18.0 t -49.14 -31.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.526 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 67.7 m -67.07 -33.64 75.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.1 mt -72.98 -56.85 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.557 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.7 pt20 -61.25 -33.57 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.681 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.17 -16.59 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG3' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -69.35 -38.44 78.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.6 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.67 168.09 31.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -70.18 57.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.773 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.97 -64.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 2.0 t70 -45.79 -24.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.556 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -81.95 -58.98 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.943 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.68 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 12.5 p -75.87 -44.32 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.866 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -51.98 -15.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' C ' HG21 ' A' ' 86' ' ' THR . 8.6 tptt -110.69 -108.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.628 ' C ' ' CG2' ' A' ' 86' ' ' THR . 17.2 m-85 -134.89 1.17 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.744 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -64.14 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 1.062 ' CD2' HD21 ' A' ' 102' ' ' LEU . 36.1 m170 -25.13 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.647 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.888 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.17 -28.87 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.048 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -40.6 -156.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.048 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 17.52 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.53 -41.55 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 1.176 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.4 m-85 -104.55 -17.22 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -49.0 -149.99 0.0 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.914 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 5.0 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.73 ' H ' ' HG2' ' A' ' 92' ' ' MET . 5.0 m-20 -111.96 101.02 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.99 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -87.42 -45.7 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.968 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -55.21 -26.85 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -68.37 -28.64 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.17 -40.26 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 1.176 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.3 t -74.89 -30.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.641 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.43 -39.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HA ' ' ND2' ' A' ' 104' ' ' ASN . 0.0 OUTLIER 178.16 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -51.21 -94.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.062 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -34.3 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.548 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 4.1 m95 -144.12 159.64 42.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.533 ' ND2' ' OD2' ' A' ' 20' ' ' ASP . 8.2 m120 -106.91 95.88 13.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.792 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -12.9 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.792 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 32.91 41.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 33.6 mm-40 -119.69 155.37 32.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.81 126.27 55.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.72 HD23 ' HB3' ' A' ' 120' ' ' ASN . 6.2 mt -93.58 133.68 36.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.144 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 9.5 t90 -123.61 130.79 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.621 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.3 m -154.4 126.03 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -114.35 157.78 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.6 t90 -133.26 -54.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 13' ' ' THR . 4.4 mm-40 -58.63 -16.36 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.8 ' HB2' ' OD2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -116.29 1.17 13.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.3 51.31 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.747 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -130.61 146.94 52.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.553 ' CG2' ' HG3' ' A' ' 59' ' ' MET . 44.8 t -149.42 158.12 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 155.69 126.83 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.72 ' HB3' HD23 ' A' ' 109' ' ' LEU . 2.2 m120 -98.97 120.45 39.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.7 mt-10 153.76 151.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.98 -24.45 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 128' ' ' TYR . 95.3 m-20 -52.96 -50.59 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.684 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -50.83 -58.23 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 1.2 t70 -45.08 -53.63 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.51 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.563 ' CD2' HD22 ' A' ' 117' ' ' LEU . 9.6 m-30 -57.0 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.144 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -144.61 83.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -30.68 166.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.879 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -50.18 4.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.885 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -174.63 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' A' ' 129' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 1.068 ' HB3' HD21 ' A' ' 117' ' ' LEU . 18.5 Cg_endo -74.95 125.02 9.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' N ' ' CG ' ' A' ' 115' ' ' ASN . 8.9 mtt-85 -102.63 -81.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.784 ' N ' HD21 ' A' ' 115' ' ' ASN . 15.6 m -82.64 120.5 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.63 HG13 ' CD2' ' A' ' 42' ' ' PHE . 1.5 mm -100.86 121.22 51.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -111.16 99.66 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.41 139.49 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 81.5 m-85 -111.84 150.66 30.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.612 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 1.8 m -97.27 136.0 38.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.8 m-80 -142.02 34.27 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.949 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 63.13 159.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.081 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.83 -74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -136.18 -130.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -39.07 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.699 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.7 m-20 -85.72 104.77 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.081 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -52.61 -39.03 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HD3' HG22 ' A' ' 25' ' ' ILE . 6.3 mmtp -81.31 -55.44 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.916 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -58.68 -65.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.029 ' HB3' HD13 ' A' ' 21' ' ' ILE . 10.1 tp-100 -44.45 -34.55 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 2.5 tptm -45.32 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.68 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.23 -43.32 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.916 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -38.49 -42.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 34.9 mm-40 -80.48 -43.31 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -52.71 -47.38 67.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -73.34 -20.43 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -66.11 1.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -63.17 -115.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 5.3 t0 -64.87 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 p -153.57 167.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.625 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 80.3 p -157.99 157.26 32.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 158.65 63.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -162.27 -53.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.036 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -93.78 168.17 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG12 ' A' ' 14' ' ' ILE . 1.6 m-20 -106.14 113.01 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.012 HG21 HD21 ' A' ' 34' ' ' LEU . 4.5 p -95.53 125.34 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.1 mm-40 -104.1 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.924 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -109.73 103.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.62 134.22 23.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 2.1 p30 -90.09 120.52 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -162.49 156.68 21.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.809 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.07 124.81 91.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.723 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.03 47.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.712 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -61.43 155.23 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.516 ' CZ3' ' CB ' ' A' ' 67' ' ' PRO . 57.2 m95 -55.08 -26.95 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -49.83 -59.47 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -44.12 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.015 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.63 -26.36 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.2 mt-30 -44.05 -31.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.632 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -71.73 -50.21 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -73.86 -30.76 62.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.5 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.47 -26.65 63.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.243 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.33 -45.19 16.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 p -66.44 -8.5 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -171.9 137.38 0.97 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.92 -21.62 15.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -94.3 7.32 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.705 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -64.45 -37.78 94.9 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -50.72 -28.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -56.55 -45.89 80.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.43 -54.46 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.49 -40.73 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.916 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.48 -18.8 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.21 -31.73 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.93 163.25 49.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.495 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.05 -42.9 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HB3' ' OG ' ' A' ' 79' ' ' SER . 3.6 mmtt -86.88 67.71 9.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 72' ' ' ARG . 4.0 tp -61.9 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 82' ' ' LYS . 9.6 p-10 -42.16 -28.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 51.1 m -73.82 -64.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.711 HG23 ' OG1' ' A' ' 86' ' ' THR . 12.5 p -79.63 -30.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.878 ' N ' ' O ' ' A' ' 77' ' ' LEU . 12.8 tp -60.57 -9.12 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -126.38 -100.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.4 t80 -144.24 -5.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.85 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.17 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.97 ' ND1' HD11 ' A' ' 102' ' ' LEU . 59.8 m-70 -27.71 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.965 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -47.59 -26.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.987 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -37.73 -158.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.987 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 19.67 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -82.53 -45.53 14.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.726 ' CD1' HD12 ' A' ' 94' ' ' LEU . 23.0 m-85 -106.38 -17.26 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.15 -163.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.956 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 18.4 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.675 ' H ' ' HG2' ' A' ' 92' ' ' MET . 12.7 m-20 -106.46 104.38 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.68 -34.4 52.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.762 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -44.36 -42.38 6.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -47.24 -34.67 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' LEU . 4.8 m -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' LEU . 19.3 t -73.11 -24.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.766 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -52.21 -10.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.766 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.0 OUTLIER 122.79 2.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.242 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.3 -111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.97 HD11 ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -30.79 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -149.82 154.67 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 107.973 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.559 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 17.0 m120 -82.99 106.32 6.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.812 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.4 Cg_endo -75.0 3.4 5.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.851 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 3.6 60.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.812 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.5 mm-40 -138.16 155.71 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.678 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -115.97 127.93 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.75 ' CD2' HD12 ' A' ' 70' ' ' LEU . 5.3 mt -105.97 124.23 49.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -124.98 122.13 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 m -145.19 130.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.68 ' HB2' HD12 ' A' ' 117' ' ' LEU . 11.7 m-20 -121.51 138.97 54.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.4 t90 -101.79 -65.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -5.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.95 ' N ' HD22 ' A' ' 115' ' ' ASN . 0.4 OUTLIER -103.33 -13.43 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 58.82 25.01 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.068 HD21 ' HB3' ' A' ' 11' ' ' PRO . 3.5 pp -133.49 142.04 48.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 110' ' ' TRP . 83.5 t -145.93 163.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 165.23 132.0 1.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 15.1 p-10 -85.19 172.67 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.557 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 86.63 147.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.622 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.07 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.557 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -63.69 -28.9 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.53 -45.17 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.96 -54.76 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -45.0 -51.78 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.541 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.15 -53.01 56.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 1.003 ' HB3' HD13 ' A' ' 129' ' ' ILE . 11.5 m-85 -82.27 -89.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.003 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.25 87.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.959 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.44 -157.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.959 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.1 mp0 -44.64 -16.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 1.036 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HA ' ' OD1' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 170.56 20.15 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 1.2 ttt85 -104.05 -56.07 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -93.2 114.73 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.061 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 12.3 mm -99.31 113.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -102.69 100.52 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -126.89 131.03 51.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.704 ' CD2' HD12 ' A' ' 109' ' ' LEU . 58.1 m-85 -98.0 158.19 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.013 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -109.74 145.21 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' HD21 ' A' ' 94' ' ' LEU . 3.4 t30 -134.23 51.02 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 1.024 ' HA ' HG23 ' A' ' 25' ' ' ILE . 10.7 t70 50.86 164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.152 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.66 -79.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . -146.34 -99.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -56.23 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.659 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -75.94 97.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.152 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.1 mm -39.62 -46.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.67 -61.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.841 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.37 -66.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.011 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -37.94 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.881 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.26 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.967 ' SG ' HG23 ' A' ' 46' ' ' ILE . 2.0 m -78.51 -56.84 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.841 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -33.75 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 38.8 mm-40 -77.31 -48.01 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.947 HD21 ' HB ' ' A' ' 125' ' ' ILE . 2.0 tp -57.51 -56.16 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.927 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -66.52 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -60.36 -14.48 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 131' ' ' GLN . 1.2 m-20 -102.53 -87.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -164.35 171.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.632 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 85.4 p -129.93 171.56 12.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 171.14 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.592 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.658 ' C ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -13.17 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.678 ' CD2' ' O ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -89.85 165.37 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.32 122.82 46.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.927 HG11 HD21 ' A' ' 34' ' ' LEU . 23.5 t -92.73 128.24 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.722 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -97.53 116.39 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.967 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.1 mp -106.83 105.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -143.23 138.83 29.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.55 ' HA ' ' H ' ' A' ' 18' ' ' THR . 6.3 p30 -101.26 123.25 45.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.703 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.74 162.82 38.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CD1' ' O ' ' A' ' 92' ' ' MET . 27.0 p90 -72.67 111.86 12.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.752 ' HG3' HD11 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 61.28 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' PHE . 38.7 p -80.92 167.24 20.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 5.7 p90 -59.44 -26.88 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -58.37 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -84.05 -52.27 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.019 HD22 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.53 -27.25 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 3.6 tp60 -36.29 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.3 m-85 -64.49 -54.79 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.481 ' SD ' ' CG2' ' A' ' 118' ' ' VAL . 3.4 mmt -78.51 -26.45 45.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 3.5 ttt180 -51.5 -34.04 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -46.48 9.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -62.92 -13.95 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.92 134.94 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.532 1.807 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' CA ' HG22 ' A' ' 68' ' ' VAL . 90.6 mt-30 -91.33 12.78 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.565 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.66 -47.25 92.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.68 ' HB3' HD21 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 1.9 m -48.99 -27.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -72.23 -35.0 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.019 HD12 HD22 ' A' ' 56' ' ' LEU . 6.2 mt -73.69 -58.51 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.2 pt20 -54.23 -36.68 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.927 ' HD2' HD13 ' A' ' 77' ' ' LEU . 1.1 mmm-85 -79.73 -17.8 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -67.73 -40.41 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.704 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.14 141.0 57.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.52 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.01 57.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -176.45 34.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.33 -62.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' N ' HD23 ' A' ' 81' ' ' LEU . 20.5 t70 -40.13 -27.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.567 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -86.64 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.93 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.8 p -80.39 -42.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.859 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.21 -6.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -125.47 -86.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.647 ' C ' HG22 ' A' ' 86' ' ' THR . 0.1 OUTLIER 179.36 5.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -53.12 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.611 ' O ' ' CG2' ' A' ' 89' ' ' THR . 13.8 m170 -37.25 -17.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.119 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.2 t -51.69 -16.33 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.162 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.0 OUTLIER -31.54 -145.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 1.162 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.01 25.68 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.4 t -88.57 -49.88 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.843 ' HE2' HD22 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.21 -22.69 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.39 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.841 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -14.98 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 111.009 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m-20 -119.94 98.54 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.017 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -85.41 -32.26 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.869 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -68.87 -57.77 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 100' ' ' ARG . 36.2 mmtt -44.48 -27.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.1 m -92.11 -39.05 11.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.672 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.1 t -76.14 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.733 ' CB ' HG21 ' A' ' 25' ' ' ILE . 7.2 mt-30 -51.64 -21.83 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 96' ' ' LYS . 1.3 tmt_? 177.6 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.598 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -178.08 -128.82 1.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.843 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -23.42 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.95 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 7.0 t90 -143.78 160.19 41.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 2.9 p-10 -93.56 94.08 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.95 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -75.03 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.774 ' HG3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -165.86 39.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 9.6 mt-10 -122.04 156.46 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.639 ' HB2' ' CD ' ' A' ' 29' ' ' LYS . . . -134.32 148.9 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -113.74 119.34 37.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.061 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 8.6 t90 -105.66 135.25 47.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 118' ' ' VAL . 18.1 m -157.86 127.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.614 ' CG ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.69 149.62 27.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.4 ' CD1' ' HD2' ' A' ' 58' ' ' TYR . 1.6 t90 -121.04 1.41 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.5 mm-40 -87.86 -45.2 10.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.614 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 3.7 m-20 -111.19 17.56 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 52.93 52.05 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 128' ' ' TYR . 1.7 mt -111.6 145.52 39.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 111' ' ' VAL . 53.5 t -150.58 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . -163.64 162.75 35.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' HB3' ' OG ' ' A' ' 69' ' ' SER . 3.3 p30 -118.91 160.44 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 2.7 mt-10 70.25 166.21 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.715 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -41.37 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.31 -28.19 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.633 ' OD1' ' CD1' ' A' ' 128' ' ' TYR . 2.7 t0 -59.58 -48.14 82.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.947 ' HB ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.22 -56.95 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.622 ' HA ' HG22 ' A' ' 130' ' ' ILE . 2.4 t0 -45.65 -56.69 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 16.0 mmtp -57.37 -55.65 32.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.985 ' HB3' HD13 ' A' ' 129' ' ' ILE . 2.9 m-85 -70.19 -84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.05 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -129.91 95.48 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.791 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.6 OUTLIER -39.95 -116.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.627 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.7 mp0 -106.66 -37.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.752 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.1 ptp85 -99.05 -26.13 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.764 ' HD2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.607 ' HA ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.02 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 8.0 mtt-85 -135.04 -45.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 1.149 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 7.1 m -109.3 117.79 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.121 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 3.3 mm -92.7 110.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -106.77 102.24 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -129.18 128.45 43.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.668 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 4.7 m-30 -97.17 154.12 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.983 HG21 ' HA ' ' A' ' 26' ' ' LYS . 37.1 m -101.82 150.98 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.807 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 m120 -146.72 54.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 1.083 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 44.72 154.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -153.78 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -154.87 -130.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.0 t -30.24 -92.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.688 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -82.44 98.28 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.083 HG23 ' HA ' ' A' ' 20' ' ' ASP . 5.9 mm -43.05 -41.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.983 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -84.13 -60.65 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.778 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -55.86 -66.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 50.4 tp60 -38.56 -34.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.877 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -52.19 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 34' ' ' LEU . 4.2 t -92.72 -51.72 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.778 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 3.4 mm? -33.34 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.4 mm100 -81.51 -41.06 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.994 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.0 -46.79 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -80.41 -11.65 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.1 tptt -47.91 -19.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -57.88 -95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.55 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 3.6 m-20 -101.24 -172.32 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -166.0 164.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 2.1 m 167.76 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -111.24 129.94 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 178.05 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.925 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -158.7 161.54 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -105.01 114.75 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.925 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 2.1 t -86.21 120.22 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.772 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -99.96 113.57 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.772 HD13 ' C ' ' A' ' 45' ' ' GLU . 1.8 mm -109.5 104.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.37 136.1 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.602 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 1.8 p30 -90.96 122.59 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.4 tpt180 -158.32 159.19 35.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.48 129.69 89.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.14 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -59.1 146.5 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.442 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.929 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.01 -24.97 66.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -56.98 8.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -39.1 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.011 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.32 -25.24 65.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.599 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -41.52 -30.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.04 -53.36 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -70.11 -28.37 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.64 -37.99 66.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -76.24 -37.53 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -95.95 38.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -178.72 133.59 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 63' ' ' CYS . 18.3 Cg_endo -75.03 -29.48 8.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.627 ' CA ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -88.27 -15.96 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 20.08 -106.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 -36.09 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.627 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -47.0 -37.42 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -73.74 -34.25 64.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.4 mt -73.24 -54.12 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.76 -32.68 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.6 mmt180 -79.48 -18.8 51.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.696 ' OE1' HD23 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -66.98 -36.43 82.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.583 HD13 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -82.86 159.52 62.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.99 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.03 56.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.81 -65.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.529 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 p-10 -40.42 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 84' ' ' LYS . 9.4 t -83.62 -61.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.044 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.684 HG23 ' OG1' ' A' ' 86' ' ' THR . 11.0 p -80.43 -43.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.47 -6.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -123.19 -104.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.7 t80 -146.35 -6.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.816 ' O ' ' N ' ' A' ' 86' ' ' THR . 6.4 tttt -57.02 -134.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.787 ' CD2' HD21 ' A' ' 102' ' ' LEU . 32.8 m170 -29.34 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.945 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.74 -26.76 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -39.36 -156.51 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.04 19.86 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.65 -41.74 16.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' A' ' 94' ' ' LEU . 1.2 m-85 -107.13 -20.75 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.5 -170.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.56 -97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.519 ' H ' ' CG ' ' A' ' 92' ' ' MET . 6.3 m-20 -96.19 103.09 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.75 -30.1 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.6 OUTLIER -50.89 -27.55 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.621 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 46.9 mmtt -62.5 -28.69 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.662 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -98.38 -49.94 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.707 ' CG2' HD11 ' A' ' 94' ' ' LEU . 80.7 t -58.77 -32.96 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -39.05 -25.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 4.1 ttt180 154.03 -19.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -65.14 -160.76 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER 34.94 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.758 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -143.45 157.94 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -93.97 100.01 4.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.95 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.666 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -179.02 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 23.3 mt-10 -135.94 142.52 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.66 129.65 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.35 116.33 32.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 1.121 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 3.9 t90 -104.42 128.83 52.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 HG13 ' A' ' 118' ' ' VAL . 4.1 m -150.69 142.15 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.663 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -123.88 145.34 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 1.149 ' CZ2' HG21 ' A' ' 13' ' ' THR . 16.8 p-90 -122.05 12.99 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.962 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.631 ' OE1' ' CE3' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -95.03 -39.05 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.607 ' ND2' ' HA ' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -112.41 0.37 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.603 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 72.43 40.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.785 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -112.77 143.19 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 59' ' ' MET . 76.3 t -147.84 158.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 159.23 113.41 0.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.668 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.18 123.39 35.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 161.62 157.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.84 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.791 ' HB1' ' HE2' ' A' ' 127' ' ' LYS . . . -74.72 -23.67 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.698 ' HB3' ' CE2' ' A' ' 128' ' ' TYR . 5.5 m-20 -55.66 -49.57 72.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.73 HG12 ' CD1' ' A' ' 110' ' ' TRP . 1.5 mt -49.58 -59.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.776 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.2 t70 -53.49 -44.75 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.791 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -60.78 -59.95 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.756 ' HB2' HD13 ' A' ' 129' ' ' ILE . 5.0 m-30 -70.04 -70.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.018 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -144.04 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.829 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -50.58 -170.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.829 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -42.25 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.87 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -158.15 82.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.702 ' C ' HG22 ' A' ' 129' ' ' ILE . 13.6 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 62.27 87.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.513 ' O ' ' CG2' ' A' ' 6' ' ' THR . 52.6 m-85 -156.87 171.79 19.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -84.81 -45.7 12.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 107.968 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.771 ' HE2' HG23 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -84.62 -16.22 42.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 3' ' ' PHE . 60.7 p 34.08 89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -165.09 146.25 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.8 tt0 -94.03 144.36 25.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.44 88.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' HG2' HD23 ' A' ' 7' ' ' LEU . 22.5 mt-30 -88.57 137.24 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.661 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.4 Cg_endo -74.98 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -147.31 -53.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -91.38 114.95 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.036 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 19.7 mm -101.63 108.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 111' ' ' VAL . 14.9 m -95.25 107.02 19.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -109.19 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CB ' HD13 ' A' ' 109' ' ' LEU . 2.8 m-85 -102.24 156.29 17.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.674 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.4 m -103.87 143.73 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.763 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.0 m120 -152.4 57.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.948 ' HB2' HG13 ' A' ' 98' ' ' VAL . 11.5 t0 57.54 158.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.119 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -173.86 -93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HD12 ' A' ' 25' ' ' ILE . . . -132.18 -148.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -29.51 -84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -85.75 95.96 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.119 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -48.89 -32.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.65 -54.16 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.943 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -61.43 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.927 ' HB3' HD12 ' A' ' 21' ' ' ILE . 41.3 tp60 -44.86 -28.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 1.028 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.31 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 1.018 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.93 -56.74 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.359 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -32.88 -49.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.804 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.3 mm100 -73.63 -35.67 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -61.17 -50.17 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.929 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.93 -14.85 62.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.5 tmtt? -62.99 6.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.62 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -84.36 -107.67 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' C ' ' HG3' ' A' ' 131' ' ' GLN . 11.3 t0 -60.17 -144.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -92.99 170.42 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.631 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 15.6 m -123.18 125.25 44.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.631 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.8 m170 151.74 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.607 ' HG3' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER 77.29 -44.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 4.4 p90 -133.82 168.61 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.65 121.63 41.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.151 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 t -93.17 139.21 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.675 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -118.56 118.43 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.018 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.6 mp -111.46 109.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -137.45 141.86 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.674 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.6 p30 -110.95 116.72 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.632 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -168.36 166.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.669 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 7.7 t80 -74.46 129.83 83.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.659 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 61.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 9.2 p -58.9 145.02 42.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.685 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.93 -23.41 67.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.007 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -58.43 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -32.92 25.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.685 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -67.68 -21.42 65.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -38.06 -33.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 51.8 m-85 -75.1 -45.4 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -73.9 -31.74 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -52.55 -30.55 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -83.51 -46.6 12.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -84.31 49.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -174.27 144.29 0.95 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.4 Cg_endo -74.99 -36.46 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -94.3 -16.92 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . 38.84 -106.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.573 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 -38.5 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.758 HG12 ' HG3' ' A' ' 72' ' ' ARG . 5.2 t -48.14 -37.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -63.75 -36.55 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.643 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.1 mm? -74.09 -60.72 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.858 ' HG3' HD23 ' A' ' 81' ' ' LEU . 1.2 pm0 -54.8 -33.09 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.758 ' HG3' HG12 ' A' ' 68' ' ' VAL . 2.0 mmt180 -78.67 -20.8 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -68.19 -41.47 81.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.533 HD11 HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -85.14 159.96 55.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -75.01 149.35 36.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 79' ' ' SER . 14.1 tttt 69.67 42.16 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.74 -61.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -40.19 -28.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -76.94 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.734 HG23 ' HB ' ' A' ' 86' ' ' THR . 4.9 p -78.43 -32.83 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD23 ' HG3' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -58.21 -10.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.549 ' HD3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -118.81 -101.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.674 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -139.65 1.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.715 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -62.05 -139.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 1.05 ' CD2' HD21 ' A' ' 102' ' ' LEU . 8.8 m-70 -27.46 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.923 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.3 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.973 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -39.06 -157.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.973 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.01 19.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -90.9 -43.0 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 97' ' ' CYS . 1.5 m-85 -107.39 -24.24 11.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.669 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -37.35 -104.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -27.52 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.677 ' H ' ' HG2' ' A' ' 92' ' ' MET . 80.4 m-20 -103.76 104.44 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.61 -21.83 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 1.075 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.92 -27.91 67.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.619 ' C ' ' HG2' ' A' ' 99' ' ' GLN . 18.2 mmtp -65.18 -27.62 68.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 4.9 m -99.71 -47.87 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 20' ' ' ASP . 1.4 t -65.21 -28.04 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.665 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.64 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 156.31 -17.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.68 -134.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.05 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 0.38 -77.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.702 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -140.94 159.79 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 47.4 p-10 -106.85 84.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.702 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -74.99 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.613 ' CD ' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -152.09 47.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.511 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.0 mm-40 -113.3 146.25 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.593 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . . . -112.54 125.51 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.27 117.21 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.056 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.1 t-105 -114.29 120.07 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HG13 ' A' ' 118' ' ' VAL . 13.1 m -131.21 134.87 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.815 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.9 t0 -108.92 128.0 54.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.407 ' HZ2' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -107.68 5.25 26.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -93.8 -44.74 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 1.3 t30 -112.97 -3.42 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.625 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 71.6 38.75 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.854 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -108.68 117.72 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.047 HG13 HG12 ' A' ' 111' ' ' VAL . 40.9 t -126.99 155.7 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.426 ' O ' ' OD2' ' A' ' 124' ' ' ASP . . . -174.15 114.18 0.49 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 1.7 m-80 -69.66 90.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.52 ' CB ' ' OD2' ' A' ' 124' ' ' ASP . 0.3 OUTLIER 168.06 148.1 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.97 -23.31 13.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.64 58.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.52 ' OD2' ' CB ' ' A' ' 121' ' ' GLU . 47.6 m-20 -54.3 -32.93 57.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.681 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -72.99 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.974 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -48.93 -44.36 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.21 -52.57 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.854 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.93 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.056 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.47 94.07 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.002 HD13 ' N ' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -61.52 -164.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.861 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -50.65 -17.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.668 ' CD ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -151.06 24.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 1.002 ' N ' HD13 ' A' ' 130' ' ' ILE . 37.2 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.473 0.178 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -154.8 131.45 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -165.35 90.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -38.95 20.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HG3' ' C ' ' A' ' 133' ' ' LYS . 1.4 mmmp? -73.56 -11.21 60.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER 44.27 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD11 HD11 ' A' ' 117' ' ' LEU . 2.9 tp -177.38 142.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -64.78 105.56 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 55.32 108.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' CB ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 pp0? -68.87 140.24 91.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.96 163.34 35.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -110.53 -56.32 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 40.1 m -91.31 112.8 24.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mm -100.48 112.44 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.682 ' HB3' HG12 ' A' ' 111' ' ' VAL . 13.2 t -98.82 104.61 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.939 HD11 HD11 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -111.52 149.06 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.657 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -116.76 159.36 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 25' ' ' ILE . 2.5 m -102.0 143.85 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.705 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.8 m120 -155.92 62.11 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.622 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 5.2 t70 56.05 160.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.217 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.15 -88.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . . . -139.11 -132.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.579 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 2.8 m120 -85.59 100.32 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.217 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -50.57 -34.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.768 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.86 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.783 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.54 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.084 ' HB3' HD12 ' A' ' 21' ' ' ILE . 8.1 tp-100 -42.39 -33.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.966 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -47.88 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.77 ' SG ' HD22 ' A' ' 16' ' ' LEU . 79.2 m -96.71 -49.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.783 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -34.42 -44.92 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.702 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 34.3 mm-40 -80.31 -44.05 20.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -52.23 -43.38 64.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.028 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -82.57 -18.26 42.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.83 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.53 -54.31 23.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.568 ' N ' ' NE2' ' A' ' 131' ' ' GLN . 35.5 m-20 -169.36 93.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG22 ' H ' ' A' ' 39' ' ' SER . 1.9 p -83.16 -176.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.667 ' H ' HG22 ' A' ' 38' ' ' VAL . 61.4 m -168.68 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 162.05 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -128.96 -17.08 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -156.88 167.98 28.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.49 126.16 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.028 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.5 t -97.6 140.12 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -120.86 116.53 25.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.869 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -109.55 113.9 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -136.53 143.51 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.563 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 3.3 p-10 -111.74 114.87 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.712 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -171.48 163.39 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.09 117.01 44.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.862 ' C ' HD21 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.06 60.64 5.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.697 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -73.56 143.03 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.2 p90 -51.31 -21.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' THR . 34.7 t0 -42.54 -54.72 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.38 -59.36 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.862 HD21 ' C ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -52.67 -20.59 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.706 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -35.9 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.1 m-85 -67.25 -56.08 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.649 ' HE2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -77.04 -36.21 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -53.79 -24.66 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.87 -44.17 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.78 7.31 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -143.82 138.21 14.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.85 4.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -84.69 14.65 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . -29.3 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -31.54 6.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.561 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 2.4 t -49.17 -31.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -78.48 -38.67 40.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 56' ' ' LEU . 3.1 mm? -73.11 -57.82 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 3.5 pt20 -51.91 -45.04 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -70.08 -20.89 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.08 -38.15 78.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.074 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -84.83 164.74 40.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 163.13 35.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 51.66 70.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.882 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.75 -61.91 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.598 ' N ' HD23 ' A' ' 81' ' ' LEU . 21.5 t70 -41.95 -25.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.625 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.28 -61.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.074 HG11 HG22 ' A' ' 74' ' ' ILE . 13.8 p -79.93 -37.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.882 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.26 1.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 80' ' ' VAL . 1.8 tmtp? -127.53 -98.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.6 m-85 -148.05 -6.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 ttpp -59.33 -133.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.766 ' O ' HG22 ' A' ' 89' ' ' THR . 21.8 m170 -31.15 -24.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.915 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -49.84 -30.78 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.971 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.29 -159.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.971 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.94 25.57 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.424 1.749 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -91.99 -43.12 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' HG ' ' A' ' 102' ' ' LEU . 1.7 m-85 -107.63 -28.83 9.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.628 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.79 -124.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.802 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -12.6 -61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.589 ' OD1' ' O ' ' A' ' 93' ' ' ASP . 10.7 p-10 -117.84 99.89 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.018 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 -53.02 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.963 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.01 -25.67 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.595 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 5.5 mmmm -69.67 -27.13 64.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -98.43 -39.33 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 108.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 74' ' ' ILE . 2.3 t -78.87 -24.43 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -34.22 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 98' ' ' VAL . 12.4 ptm180 173.47 -31.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -64.39 -150.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.653 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 30.34 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.659 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -147.94 158.09 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -99.3 99.69 8.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.699 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -75.03 -17.94 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.821 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 30.5 34.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 105' ' ' PRO . 6.6 mt-10 -103.65 157.59 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' HB3' ' CA ' ' A' ' 122' ' ' PRO . . . -112.11 129.34 56.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.1 mm? -90.78 116.73 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.047 ' CZ3' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -109.55 122.37 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 107.989 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.03 HG22 HG12 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -148.24 133.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.73 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -125.86 132.83 52.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.69 7.52 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.4 tm-20 -91.28 -46.09 8.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -112.68 17.22 19.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 5.8 ptpt 52.81 41.55 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.804 HD11 HD11 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -110.32 146.22 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.03 HG12 HG22 ' A' ' 111' ' ' VAL . 21.3 m -150.83 165.02 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.537 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 167.59 144.04 4.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 20.8 p-10 -92.95 174.36 7.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.4 OUTLIER 77.46 148.95 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.521 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.05 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -56.42 -29.08 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -56.94 -48.46 78.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -47.0 -55.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.81 ' HA ' HG22 ' A' ' 130' ' ' ILE . 1.2 t0 -47.3 -53.02 14.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.55 -47.69 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.847 ' HB3' HD13 ' A' ' 129' ' ' ILE . 82.7 m-85 -87.04 -85.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.047 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.77 92.09 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.81 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.6 pp -48.95 -161.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.663 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 5.4 mp0 -50.98 -56.7 11.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.693 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -110.08 16.14 22.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.636 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.495 0.188 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -150.77 162.5 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -143.95 118.37 9.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -80.58 -44.28 19.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 108.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' NE ' ' A' ' 132' ' ' ARG . 2.6 mmtm -73.26 -11.08 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER 40.22 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -174.63 143.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tp-100 -39.48 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -110.38 144.5 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.241 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 133' ' ' LYS . 7.8 pm0 -88.94 131.2 42.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.03 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 8.6 ttt85 -142.76 -40.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 97.1 m -120.42 116.62 25.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.754 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 5.0 mm -104.16 124.86 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -95.83 100.89 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD21 ' HE2' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -112.39 119.44 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.796 ' N ' HD13 ' A' ' 16' ' ' LEU . 1.4 m-30 -98.47 156.07 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -99.37 139.11 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.662 ' HB2' HD21 ' A' ' 109' ' ' LEU . 1.1 t30 -139.12 40.7 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.924 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.8 t0 54.8 144.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.843 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -150.81 -65.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -143.75 -144.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -30.08 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.2 m-80 -84.72 100.84 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.924 HG23 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mp -49.27 -41.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.813 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -81.85 -57.88 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.804 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.07 -65.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.791 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 52.2 tp60 -42.39 -35.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.827 ' HE2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.16 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.6 t -95.39 -54.53 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -31.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.791 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.4 mm100 -77.48 -46.31 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 3.2 tp -51.77 -52.07 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.008 HD21 HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -62.39 -29.92 70.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -65.94 -0.12 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -85.94 -86.48 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 t70 -68.87 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 39' ' ' SER . 2.0 t -157.87 146.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 153.67 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 14.6 t60 -179.34 161.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 1.4 ptp180 157.32 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.001 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -135.8 172.11 13.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.627 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.52 128.0 44.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.008 HG11 HD21 ' A' ' 34' ' ' LEU . 39.4 t -89.59 135.79 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.6 mm-40 -108.21 109.21 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.918 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.33 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.43 133.02 22.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' ND2' ' HG2' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -86.73 122.62 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.54 ' O ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.65 157.51 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.78 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.4 128.0 92.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 50.57 2.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.674 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.51 150.85 34.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.458 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 57' ' ' GLN . 1.7 p-90 -67.32 -24.96 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -60.42 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.82 -39.51 13.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.686 ' O ' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.99 -23.67 65.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 17.7 tp60 -42.29 -43.21 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -55.47 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.584 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 2.9 mmm -69.9 -30.8 68.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -55.88 -37.0 68.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.48 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -99.66 69.43 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.693 ' SG ' HG12 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 171.05 146.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.51 2.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -96.22 -4.34 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 18.09 -102.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 65' ' ' GLN . 3.7 p -42.71 -27.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.573 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -62.63 -48.57 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 70' ' ' LEU . 1.6 mm? -73.29 -52.15 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -47.96 -41.97 26.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.691 ' HA ' HD21 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -81.04 -18.5 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' CB ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -69.48 -43.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -79.96 164.35 53.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -74.98 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.1 OUTLIER 29.79 49.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.793 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -41.83 -64.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 14.0 t0 -41.13 -25.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.2 t -75.48 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.931 HG23 ' OG1' ' A' ' 86' ' ' THR . 5.5 p -80.2 -32.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.926 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -61.31 -7.59 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -131.97 -96.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.625 ' C ' HG22 ' A' ' 86' ' ' THR . 72.8 t80 -166.11 9.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.721 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.3 ttpp -56.95 -149.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' O ' ' CG2' ' A' ' 89' ' ' THR . 0.1 OUTLIER -35.05 -22.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.107 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.9 t -54.46 -14.79 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.218 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.1 t0 -32.21 -142.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.218 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 20.62 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.2 t -81.29 -48.04 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 94' ' ' LEU . 5.7 m-85 -101.95 -18.8 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -48.13 -167.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.969 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 21.83 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.673 ' H ' ' HG2' ' A' ' 92' ' ' MET . 20.2 m-20 -105.14 101.85 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.74 -23.3 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -53.69 -28.39 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.668 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 2.7 mmtp -62.13 -30.92 71.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.695 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 20.5 m -96.34 -49.17 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 94' ' ' LEU . 63.2 t -58.1 -33.96 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.692 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -42.19 -21.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.4 tmt_? 140.09 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.92 -116.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -15.98 -82.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.838 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -146.67 152.13 38.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 18.0 p-10 -90.0 99.89 2.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.838 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.631 ' CD ' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -145.0 43.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.574 ' CB ' ' HG3' ' A' ' 73' ' ' GLN . 5.4 mm-40 -128.88 156.15 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -117.31 142.7 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.901 ' N ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -110.96 112.16 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.634 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -111.53 134.19 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 15.3 m -157.51 128.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 117' ' ' LEU . 27.8 t70 -111.47 146.84 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.1 t90 -122.75 6.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.541 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -89.36 -47.31 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.616 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -115.74 21.96 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 11.2 ptpt 53.6 54.49 9.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.37 138.23 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.693 HG12 ' SG ' ' A' ' 63' ' ' CYS . 71.4 t -149.5 144.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 175.43 143.27 4.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -93.51 173.59 7.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.67 144.3 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.9 -26.43 68.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.634 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -56.49 -47.46 79.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -45.0 -52.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.855 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -50.97 -49.72 59.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -55.58 -57.9 10.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.904 ' HB3' HD13 ' A' ' 129' ' ' ILE . 69.9 m-85 -74.83 -83.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.92 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -128.78 91.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.855 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -53.22 -155.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.897 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.5 pt20 -53.61 -3.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.758 ' NE ' HD13 ' A' ' 130' ' ' ILE . 3.3 ppt_? -126.8 -169.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.92 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.49 0.186 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.43 104.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 m-85 -103.17 172.29 6.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -84.94 -39.08 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 130' ' ' ILE . 36.0 mmtm -71.99 -22.3 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 3' ' ' PHE . 69.8 p 34.84 -153.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER 76.16 111.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -43.11 168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' CG ' ' HD3' ' A' ' 116' ' ' LYS . 2.6 mpt_? 62.44 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -86.78 125.91 65.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.711 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.95 149.2 36.57 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -125.58 -45.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -121.98 119.55 31.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.865 HD13 HD21 ' A' ' 115' ' ' ASN . 3.8 mm -96.05 105.98 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -104.46 104.23 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.852 HD22 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -120.08 140.57 50.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.825 ' HB2' HD23 ' A' ' 109' ' ' LEU . 2.5 m-30 -105.86 163.53 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.786 HG23 ' HD3' ' A' ' 29' ' ' LYS . 4.2 m -100.12 141.58 32.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.664 ' C ' HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -147.87 35.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.96 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 t0 58.32 151.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.812 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -145.27 -79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -136.82 -134.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -34.31 -65.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 4.6 m-20 -101.77 140.75 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.96 HG23 ' HA ' ' A' ' 20' ' ' ASP . 2.4 mm -80.65 -46.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 1.8 ptpt -86.29 -48.79 8.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.74 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -54.3 -56.9 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.79 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 10.0 tp-100 -59.36 -46.02 89.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.985 ' CE ' HG23 ' A' ' 46' ' ' ILE . 31.5 ttpt -33.05 -96.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.852 ' SG ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -98.2 -41.03 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.298 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.74 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -37.95 -43.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 77.9 mm-40 -85.76 -34.17 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.94 -48.27 79.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.114 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -90.28 -7.25 53.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptp -49.13 -37.49 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.668 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -49.01 -95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 2.5 m-20 -87.29 165.12 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.631 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 178.62 143.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 4.1 p 148.46 132.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.5 m170 33.58 -132.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.593 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 10.6 mpt_? 63.44 -146.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -83.88 172.29 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.76 121.1 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.114 HG11 ' CD2' ' A' ' 34' ' ' LEU . 10.6 t -89.99 139.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -110.29 114.97 28.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.985 HG23 ' CE ' ' A' ' 29' ' ' LYS . 2.2 mp -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -139.5 141.25 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.598 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 11.1 p30 -100.92 119.89 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.629 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -169.25 158.61 8.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CA ' HD12 ' A' ' 94' ' ' LEU . 14.0 t80 -80.19 137.29 52.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.929 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.97 59.78 5.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 7.2 p -56.31 131.4 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.788 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.9 t-105 -51.39 -24.86 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -86.55 -31.13 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.961 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -59.34 -25.9 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.607 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -41.36 -34.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 42.1 m-85 -74.97 -44.44 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.546 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -71.15 -31.99 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -55.81 -43.43 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -46.8 72.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.25 46.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.497 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 13.1 t -178.38 134.7 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.2 Cg_endo -75.05 -32.39 5.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.694 ' CA ' HG22 ' A' ' 68' ' ' VAL . 31.2 mt-30 -94.99 -21.23 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 27.48 -100.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.973 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -47.09 -25.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -79.27 -41.1 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -78.61 -55.6 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.544 ' NE2' HD13 ' A' ' 81' ' ' LEU . 11.6 pt20 -53.22 -47.44 68.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.929 ' HD2' HD13 ' A' ' 77' ' ' LEU . 11.2 mmm-85 -72.73 -23.24 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.683 ' NE2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -63.14 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.766 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -86.76 138.53 33.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.0 54.38 3.62 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 79' ' ' SER . 0.0 OUTLIER -173.95 30.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.929 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -45.32 -62.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 81' ' ' LEU . 9.3 t0 -38.84 -31.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.576 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 38.6 m -84.76 -58.9 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.2 p -77.89 -52.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.784 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.87 -25.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 19.0 mmmt -99.0 -106.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -143.1 -6.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.35 -133.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.739 ' O ' HG22 ' A' ' 89' ' ' THR . 22.9 m170 -26.92 -28.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.936 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.72 -29.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.942 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER -39.53 -157.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 21.74 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.42 -47.42 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 102' ' ' LEU . 2.1 m-85 -108.97 -25.15 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 50' ' ' PHE . . . -35.7 -101.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.748 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -29.95 -101.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.644 ' H ' ' HG2' ' A' ' 92' ' ' MET . 3.9 m-20 -103.18 105.43 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.898 HD13 ' H ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.66 -39.52 61.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.898 ' H ' HD13 ' A' ' 94' ' ' LEU . 1.4 tt0 -49.52 -29.95 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.64 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 13.0 mmtp -65.69 -28.2 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.9 m -97.8 -48.0 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.87 HG13 ' HD2' ' A' ' 105' ' ' PRO . 2.3 t -64.21 -30.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -38.85 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' VAL . 13.7 ttt-85 174.52 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -66.76 -167.87 2.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 36.33 -95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.289 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -147.26 153.21 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.441 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 19.0 p-10 -98.69 105.47 30.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.87 ' HD2' HG13 ' A' ' 98' ' ' VAL . 18.3 Cg_endo -75.0 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.804 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 27.38 44.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 38.5 mm-40 -131.16 152.13 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.94 131.31 56.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.969 ' H ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -94.54 112.68 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.025 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -112.75 110.27 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.995 HG12 HG13 ' A' ' 118' ' ' VAL . 20.2 m -127.7 135.53 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.816 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -110.25 138.05 47.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.475 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -104.44 -83.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.52 -9.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.865 HD21 HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -97.67 -2.03 42.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HD3' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 46.07 35.76 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.824 HD13 ' CE2' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -136.56 151.16 49.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 111' ' ' VAL . 13.4 t -152.3 164.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 118' ' ' VAL . . . 171.45 110.45 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.596 ' OD1' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -74.2 98.97 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.1 mt-10 157.62 154.11 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.708 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.06 -22.82 14.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.435 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -75.74 -31.41 59.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.616 ' CG ' ' CD1' ' A' ' 110' ' ' TRP . 10.6 t0 -52.25 -33.0 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -68.54 -56.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.829 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -56.6 -51.73 67.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -46.54 -51.01 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.824 ' CE2' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -92.51 -92.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.025 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -101.91 89.84 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.7 pp -45.56 -164.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.668 ' OE1' ' N ' ' A' ' 36' ' ' GLY . 12.8 mt-30 -51.17 -54.07 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.676 ' N ' HD12 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -125.88 90.27 3.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.68 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.181 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.7 94.57 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -158.05 69.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -78.72 -41.08 31.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -73.99 -47.51 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.541 HG23 HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -90.6 -159.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -143.05 -61.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' ARG . 2.7 tt0 -112.84 129.73 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER 59.41 147.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 133' ' ' LYS . 0.6 OUTLIER -81.36 127.29 74.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HA ' ' CB ' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.97 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.54 -72.33 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.691 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 7.7 m -92.18 118.42 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.167 HG23 ' CH2' ' A' ' 110' ' ' TRP . 8.7 mm -95.69 112.65 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.13 98.75 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.934 HD22 ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -107.03 131.24 54.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.4 m-30 -103.8 150.21 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.699 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -103.75 138.29 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.3 t-20 -136.02 39.86 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.906 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 56.65 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.085 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.94 -83.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -130.89 -124.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -40.21 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.757 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m-20 -82.41 102.71 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.085 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -42.34 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.68 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.869 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.77 -69.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.034 ' HB3' HD13 ' A' ' 21' ' ' ILE . 9.5 tp-100 -41.15 -32.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.937 ' NZ ' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.14 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 46' ' ' ILE . 4.2 m -94.13 -45.42 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.869 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -35.96 -40.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.642 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 25.7 mm-40 -82.01 -43.25 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.99 -43.07 73.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.157 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.94 -18.06 48.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.3 tttm -58.8 -11.84 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.49 93.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -151.36 -170.79 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -157.86 164.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.525 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.3 OUTLIER 169.97 -162.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 119.7 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -179.32 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -150.23 161.88 41.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 1.9 m-20 -113.18 125.28 54.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.157 HG11 HD21 ' A' ' 34' ' ' LEU . 2.9 t -94.78 133.91 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.06 116.69 32.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.885 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -109.43 105.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.35 135.1 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 6.4 p30 -95.48 119.79 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 155.18 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.758 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.88 123.94 89.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.653 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.95 58.05 4.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.638 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -63.5 159.28 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.632 ' CZ3' ' HB2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -67.8 -25.91 65.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 108.01 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.5 -59.06 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.3 mt-30 -81.94 -43.02 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.025 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.68 -24.13 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -44.48 -31.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 24.1 m-85 -73.16 -55.95 5.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.842 ' HG2' HG11 ' A' ' 118' ' ' VAL . 0.7 OUTLIER -68.34 -29.91 68.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.493 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -51.11 -33.14 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.28 -43.93 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -56.32 -33.7 65.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.9 m -147.67 149.48 33.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.22 12.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.782 ' HA ' HG22 ' A' ' 68' ' ' VAL . 1.1 mp0 -81.18 10.12 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.594 ' HA3' HD21 ' A' ' 56' ' ' LEU . . . -33.61 -90.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.047 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.04 -43.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.782 HG22 ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -43.53 -33.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 70.2 p -78.71 -37.69 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.066 HD23 HD22 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -73.02 -56.95 4.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 2.0 mm100 -54.26 -43.28 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 1.025 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -74.33 -16.08 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 69' ' ' SER . 6.7 tp-100 -66.93 -40.5 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.9 140.77 54.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.01 70.02 5.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.726 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 167.21 37.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.025 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -48.27 -61.08 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 10.5 t0 -39.31 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 52.3 m -87.14 -59.13 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.658 HG23 ' OG1' ' A' ' 86' ' ' THR . 14.7 p -78.23 -47.67 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.64 -12.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -116.24 -103.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' ' O ' ' A' ' 84' ' ' LYS . 5.9 m-85 -152.18 -0.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.78 ' O ' ' N ' ' A' ' 86' ' ' THR . 5.5 tttt -54.32 -138.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' A' ' 102' ' ' LEU . 1.5 p-80 -34.76 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.074 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -47.35 -24.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.074 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -33.18 -156.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.006 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 22.08 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -78.66 -46.45 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 1.185 ' CD1' HD12 ' A' ' 94' ' ' LEU . 11.9 m-85 -107.69 -18.56 13.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.88 -171.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.94 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.77 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.636 ' H ' ' HG2' ' A' ' 92' ' ' MET . 54.2 m-20 -102.97 101.82 11.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.185 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -75.38 -32.81 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.94 ' HA ' HG22 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -52.31 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.659 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.3 mmmm -70.46 -21.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.814 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -95.13 -44.54 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 95' ' ' GLN . 1.6 m -73.26 -28.54 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.719 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -36.52 -37.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.719 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 2.4 tpt180 160.62 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -135.97 -168.39 11.51 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 39.08 -121.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.64 156.02 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.496 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 5.5 m120 -78.45 109.49 10.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.62 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.97 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 36.19 30.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 22.6 mm-40 -116.03 152.91 32.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.937 ' HB2' ' NZ ' ' A' ' 29' ' ' LYS . . . -114.73 142.1 46.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.066 HD22 HD23 ' A' ' 70' ' ' LEU . 14.3 mt -114.57 117.95 32.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.167 ' CH2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -109.79 115.81 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 107.989 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.663 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 3.9 m -142.28 132.19 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.96 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -111.81 151.63 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.418 ' HE1' ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -111.92 -78.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.24 -11.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.744 ' ND2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -106.91 -13.03 15.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.2 ptmt 46.6 53.92 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.96 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 0.2 OUTLIER -145.78 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.842 HG11 ' HG2' ' A' ' 59' ' ' MET . 2.1 m -130.79 152.79 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . -166.54 117.24 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.1 160.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.45 152.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.568 ' CB ' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.02 -40.46 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.82 -28.06 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.459 ' OD1' ' CE2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -55.84 -42.83 76.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.727 HG13 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.04 -56.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.836 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.45 -55.92 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -50.38 -51.05 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.813 ' HB3' HD13 ' A' ' 129' ' ' ILE . 13.3 m-30 -81.78 -84.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.865 ' CD1' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -119.62 96.24 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 126' ' ' ASP . 1.7 pp -52.13 -152.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 3.7 mp0 -76.24 3.83 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.811 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -179.61 81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.812 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.492 0.187 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -62.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -41.43 120.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.81 -47.52 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HD2' ' CD1' ' A' ' 130' ' ' ILE . 2.0 mmpp? -86.18 -32.35 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER 38.3 84.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.2 116.75 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' ARG . 2.1 tt0 -38.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER 60.1 123.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.88 138.42 27.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.608 ' HA ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.04 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.609 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.19 -43.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 20.4 m -106.61 113.12 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.027 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 7.2 mm -96.93 110.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.54 ' HB3' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -94.0 97.78 10.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -106.83 125.07 50.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.761 ' N ' HD13 ' A' ' 16' ' ' LEU . 11.2 m-30 -99.11 152.44 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.746 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -104.73 135.68 45.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.728 ' H ' ' CE ' ' A' ' 29' ' ' LYS . 2.7 m120 -139.44 41.09 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.635 ' HA ' HG23 ' A' ' 25' ' ' ILE . 13.8 t70 71.25 160.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.151 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -164.26 -82.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . . . -151.46 -114.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m120 -96.95 96.0 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.151 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -48.41 -40.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -82.99 -58.61 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.747 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -54.57 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -39.95 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.83 ' HD2' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.84 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -91.94 -54.27 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.8 mm? -32.91 -42.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.843 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -81.13 -43.79 18.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.4 tp -54.06 -46.71 72.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.923 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -76.38 -18.52 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.8 tttt -57.98 -2.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -77.2 -62.07 2.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.501 ' H ' ' CG ' ' A' ' 131' ' ' GLN . 74.2 m-20 -153.26 47.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.73 149.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . 7.4 m -137.23 -150.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -145.55 65.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -133.75 -1.34 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.983 ' CE2' HG22 ' A' ' 44' ' ' VAL . 1.4 p90 -158.61 163.04 37.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.83 119.04 38.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.983 HG22 ' CE2' ' A' ' 42' ' ' PHE . 24.0 t -92.98 134.91 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.685 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -118.13 115.22 24.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.83 104.49 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.54 138.31 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 9.3 p30 -92.85 118.47 31.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.13 158.15 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 8.4 t80 -87.36 140.37 32.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 1.019 ' HB2' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 60.12 5.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 54' ' ' ASP . 66.4 p -57.77 141.47 48.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.902 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -46.03 -26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -58.74 -60.63 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.419 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.35 -52.87 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.902 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -47.95 -24.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -44.47 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -76.09 -53.8 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.685 ' CE ' HG23 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -70.47 -26.22 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.28 -32.74 50.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -89.11 -44.27 10.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 m -54.62 -64.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 146.05 36.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.8 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.7 mt-30 -84.93 -18.97 32.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.94 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.2 t -44.44 -36.57 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 65' ' ' GLN . 3.6 m -76.3 -40.94 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.019 HD23 ' HB2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -72.48 -58.69 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.6 mt-30 -50.53 -35.3 28.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 7.5 mmt180 -78.8 -17.96 54.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.725 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.78 -39.46 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.83 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -63.46 173.36 1.26 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.83 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.95 -38.41 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.728 ' H ' HG23 ' A' ' 74' ' ' ILE . 12.6 mmtt -111.39 91.51 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.07 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.593 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.8 p-10 -44.56 -25.37 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -82.68 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.754 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.9 p -74.69 -40.36 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.899 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.2 -16.6 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -108.49 -104.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.712 ' C ' HG23 ' A' ' 86' ' ' THR . 1.1 t80 -141.19 3.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.691 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.53 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 1.089 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.8 m170 -30.4 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.959 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -44.46 -30.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.991 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -37.98 -159.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 21.01 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.851 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -85.46 -41.61 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' O ' ' O ' ' A' ' 91' ' ' GLY . 14.8 m-85 -103.87 -21.45 13.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.75 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.91 -149.94 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.777 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 1.55 -69.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.698 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.5 m-20 -110.35 105.22 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -90.14 -51.83 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -48.79 -31.08 6.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -59.94 -25.4 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 27.8 t -102.85 -48.13 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 94' ' ' LEU . 2.6 t -72.92 -18.4 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.3 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 164.2 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.01 -150.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.089 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 23.92 -96.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.67 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -142.04 152.32 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.955 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.85 102.41 13.37 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.843 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 25.3 45.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 105' ' ' PRO . 7.3 mt-10 -121.92 151.61 40.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.83 ' HB2' ' HD2' ' A' ' 29' ' ' LYS . . . -109.66 137.77 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 73' ' ' GLN . 5.1 mt -109.48 117.49 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.051 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 2.0 t-105 -107.0 120.44 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.711 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -143.38 132.49 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.79 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.7 t0 -115.45 141.93 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.607 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 17.2 t90 -117.77 1.63 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.609 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.6 mm-40 -88.73 -46.37 9.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.608 ' ND2' ' HA ' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -113.69 16.8 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 4.3 pttt 51.05 40.23 25.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -112.95 121.15 43.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.7 HG13 HG12 ' A' ' 111' ' ' VAL . 91.0 t -136.72 166.43 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 118' ' ' VAL . . . 172.88 125.59 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 p-10 -62.88 163.37 9.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 80.36 150.24 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.614 ' HB3' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.0 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -53.64 -24.85 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' HA3' ' A' ' 119' ' ' GLY . 3.0 t70 -52.85 -49.9 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.53 -53.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.954 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -45.79 -50.0 14.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -52.89 -48.52 67.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.981 ' CD1' HD13 ' A' ' 117' ' ' LEU . 78.1 m-85 -86.74 -84.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.051 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -121.48 90.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.954 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.1 OUTLIER -56.71 -159.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.843 ' N ' HG12 ' A' ' 130' ' ' ILE . 4.1 mp0 -48.38 -19.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.589 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -122.2 152.46 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -130.43 -75.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.31 127.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.32 -43.6 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 108.047 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CB ' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -85.23 -11.28 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 57.03 169.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 tp 68.09 119.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -75.23 165.32 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.71 81.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.36 135.77 43.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -74.97 148.71 35.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 2.6 ttt85 -93.02 -51.41 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 m -91.15 114.4 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.733 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.9 mm -106.15 113.5 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -99.71 102.86 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -106.8 131.14 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' C ' ' HZ2' ' A' ' 29' ' ' LYS . 53.8 m-85 -102.73 150.11 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -103.56 140.85 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.589 ' OD1' HD21 ' A' ' 94' ' ' LEU . 5.2 m-80 -145.97 64.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.66 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 15.3 t70 56.15 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.187 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.24 -90.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -135.54 -143.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 22' ' ' ALA . 7.0 t -33.55 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.675 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-20 -90.12 96.29 10.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.187 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -33.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.05 -56.63 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.68 -66.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.008 ' HB3' HD12 ' A' ' 21' ' ' ILE . 7.6 tp-100 -41.41 -31.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.962 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.87 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.8 t -92.38 -50.22 5.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -33.73 -40.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.721 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.9 mm100 -80.83 -42.44 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -56.9 -41.8 78.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD23 ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -81.6 -16.6 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptm -61.08 -7.24 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -165.93 112.43 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.586 ' OD1' HG21 ' A' ' 130' ' ' ILE . 4.0 t0 174.7 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 130' ' ' ILE . 2.0 t -153.1 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -101.79 -147.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.532 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -131.96 148.77 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.576 ' CG ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -152.33 -43.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.69 ' CD1' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -111.15 177.46 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.47 119.06 33.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 HD11 ' A' ' 46' ' ' ILE . 72.9 t -89.54 139.15 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.6 113.57 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.853 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -118.06 100.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.56 140.89 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 1.3 p30 -100.15 116.99 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' CA ' ' OE1' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -166.33 155.8 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.681 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.86 110.39 5.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.73 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.98 58.77 4.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.535 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.78 165.2 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.584 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -69.28 -22.88 63.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.35 -57.5 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.72 -52.76 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -55.2 -19.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.584 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 tp60 -36.37 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' LEU . 33.8 m-85 -71.03 -51.25 26.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.7 mmt -74.32 -38.26 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -53.33 -22.86 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -43.28 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -20.07 62.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -132.75 132.66 22.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.91 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.698 ' HA ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-30 -96.41 14.61 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -56.61 -52.83 47.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.703 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.98 -51.76 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' A' ' 65' ' ' GLN . 4.2 p -48.49 -30.81 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 1.3 t -69.04 -33.3 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 56' ' ' LEU . 3.5 mt -75.63 -55.51 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.646 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 4.2 pt20 -59.77 -38.54 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.913 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -82.43 -16.91 47.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -65.23 -41.84 94.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -78.44 140.47 60.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.517 ' HG3' ' HA ' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -74.98 69.47 5.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 102' ' ' LEU . 1.3 tttt 170.79 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -46.01 -62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 1.8 t70 -43.92 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -85.3 -61.95 1.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.011 HG23 ' OG1' ' A' ' 86' ' ' THR . 9.2 p -83.85 -43.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.801 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.97 -5.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -125.25 -97.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.588 ' C ' HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -168.81 6.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.9 ttpp -53.43 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.617 ' O ' ' CG2' ' A' ' 89' ' ' THR . 22.5 m170 -36.21 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.161 ' O ' ' O ' ' A' ' 87' ' ' ASP . 4.3 t -52.52 -17.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.161 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -29.2 -146.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.158 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.05 21.38 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.7 t -78.88 -50.93 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.883 ' HD1' HD12 ' A' ' 94' ' ' LEU . 45.2 m-85 -97.4 -20.31 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.796 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -44.65 -138.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.749 ' HE3' ' CA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -20.46 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.608 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.1 m-20 -115.94 101.53 8.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.989 HD23 ' OE1' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -88.05 -51.11 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.989 ' OE1' HD23 ' A' ' 94' ' ' LEU . 3.1 mm100 -54.38 -29.96 50.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 7.7 mmmm -65.56 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.807 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 32.2 t -98.34 -53.05 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -75.45 -12.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.763 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.45 -25.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 98' ' ' VAL . 8.6 ttt180 156.32 -13.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -75.92 -150.51 3.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 29.78 -96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -141.5 154.04 45.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.12 106.44 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.721 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -26.9 10.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.808 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.37 32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.7 ' N ' ' O ' ' A' ' 105' ' ' PRO . 5.6 mm-40 -105.21 149.32 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.542 ' HA ' ' CD ' ' A' ' 29' ' ' LYS . . . -113.37 126.53 55.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 51' ' ' PRO . 7.5 mt -103.07 138.51 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.043 ' CE2' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.83 143.02 50.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 15' ' ' SER . 3.2 m -157.34 132.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -114.57 143.3 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.94 0.76 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.5 mm-40 -87.73 -49.15 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -117.17 15.0 14.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 18.9 pttt 51.34 60.55 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.612 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -126.49 117.28 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 111' ' ' VAL . 3.1 m -135.4 162.58 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA3' ' CE2' ' A' ' 128' ' ' TYR . . . 174.15 136.52 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.0 p-10 -80.23 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.553 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.28 144.21 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.553 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -62.54 -32.07 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' CG ' ' CE2' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -57.52 -40.47 78.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.65 -57.11 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.778 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -41.76 -51.01 4.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -58.2 -57.3 13.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.454 ' CE2' ' CG ' ' A' ' 124' ' ' ASP . 12.5 m-85 -69.92 -79.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.043 HD11 ' CE2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -136.79 87.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.9 OUTLIER -26.61 -118.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.876 ' HG3' HD12 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -96.58 -60.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.718 ' HG3' HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -71.26 -67.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.731 ' C ' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.488 0.185 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 62.58 127.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.95 117.79 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -25.39 34.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 130' ' ' ILE . 3.8 mptt -88.75 -35.3 16.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.545 HG23 ' N ' ' A' ' 7' ' ' LEU . 9.7 t 36.32 -155.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.212 HD22 ' CD1' ' A' ' 128' ' ' TYR . 0.1 OUTLIER 75.67 172.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' LEU . 1.8 tt0 -52.28 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.1 130.65 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 -70.84 136.21 85.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.714 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -157.01 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 28.6 mtt180 -143.56 -64.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -91.4 119.56 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.956 HD11 ' HG2' ' A' ' 133' ' ' LYS . 6.0 mm -92.99 110.95 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.914 ' O ' HG22 ' A' ' 111' ' ' VAL . 2.4 m -107.49 105.18 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -126.87 140.99 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.789 ' HB2' HD13 ' A' ' 109' ' ' LEU . 18.1 m-30 -106.55 163.25 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 ' HE3' ' A' ' 29' ' ' LYS . 6.3 m -99.41 144.41 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.639 ' HA ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -144.03 34.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.917 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.0 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.132 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.3 -87.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -123.61 -146.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -18.74 -76.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.782 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -94.21 149.12 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.132 ' O ' HD11 ' A' ' 21' ' ' ILE . 2.4 mm -79.0 -50.61 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.68 -51.29 6.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.777 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -47.61 -50.75 23.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.08 ' HB3' HD13 ' A' ' 21' ' ' ILE . 8.7 tp-100 -70.1 -43.08 71.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.883 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -37.04 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.82 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -97.94 -36.15 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.247 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.777 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -43.46 -36.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.701 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 17.4 mm100 -86.38 -31.56 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 1.6 tp -66.33 -48.44 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.658 ' CD1' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.21 -17.89 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.35 -19.65 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.75 -83.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' CB ' ' OE1' ' A' ' 131' ' ' GLN . 0.6 OUTLIER -103.53 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 39' ' ' SER . 2.6 t -148.06 164.65 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 132' ' ' ARG . 48.5 t 178.81 -145.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' N ' ' OG ' ' A' ' 39' ' ' SER . 3.2 t60 -158.54 103.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -149.63 -46.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -143.38 170.4 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.09 130.62 53.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 HD11 ' A' ' 46' ' ' ILE . 22.0 t -97.63 143.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.839 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -107.74 116.6 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.883 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 1.6 mp -115.64 105.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.12 139.24 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.623 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -99.95 115.43 29.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -172.44 165.33 5.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.026 ' CD1' HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -84.26 136.09 40.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 69.77 5.45 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -55.92 138.28 48.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' HA ' HD22 ' A' ' 56' ' ' LEU . 3.4 p90 -52.71 -27.22 16.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -50.56 -57.97 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.8 mt-30 -85.83 -50.74 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -51.14 -25.65 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.531 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.15 -27.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 31.6 m-85 -73.48 -51.09 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.5 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.4 mmt -75.08 -36.48 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -55.24 -22.76 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.06 -44.44 11.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 p -47.37 -38.84 13.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -136.28 155.01 77.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.53 5.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.727 ' HA ' HG22 ' A' ' 68' ' ' VAL . 4.0 mt-30 -95.29 11.88 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -54.84 -51.01 56.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -74.96 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' A' ' 65' ' ' GLN . 3.6 m -48.47 -29.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 4.0 m -61.46 -32.27 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.744 HD23 ' CD1' ' A' ' 56' ' ' LEU . 3.2 mm? -76.84 -63.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.3 pt20 -53.95 -44.22 70.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.957 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.505 ' HG3' ' CB ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -68.0 -38.69 82.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.78 HD13 ' HE1' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -80.32 141.67 53.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 18.5 Cg_endo -74.95 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' CZ3' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 161.45 40.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -52.77 -60.44 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 81' ' ' LEU . 10.0 t70 -37.18 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -88.14 -58.46 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.776 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.3 p -78.39 -46.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.97 -13.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -109.14 -107.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.693 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -139.32 3.48 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -58.72 -143.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.934 ' CG ' HD21 ' A' ' 102' ' ' LEU . 11.0 m170 -35.79 -25.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.948 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -45.76 -26.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.052 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.6 -156.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.052 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 19.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.08 -40.85 17.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 1.206 ' CD1' HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -104.93 -22.19 13.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.57 -165.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.923 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 22.82 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.612 ' H ' ' HG2' ' A' ' 92' ' ' MET . 9.6 m-20 -107.36 106.03 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.206 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.07 -32.6 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 11.4 tt0 -47.31 -27.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.1 mmtt -62.75 -27.67 69.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 11.5 m -100.04 -49.2 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' HB3' ' A' ' 20' ' ' ASP . 25.6 t -62.71 -28.55 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.618 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.2 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' VAL . 16.7 ttt180 161.89 -26.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -70.29 -157.85 2.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.975 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 35.39 -98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.78 ' HE1' HD13 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -151.5 144.66 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.493 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 1.2 m-20 -87.39 109.08 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.741 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -74.98 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 24.04 53.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 105' ' ' PRO . 11.7 mt-10 -145.13 155.45 43.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.09 127.54 55.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.789 HD13 ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -99.43 118.26 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.802 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.0 t-105 -109.85 140.02 44.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.967 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.914 HG22 ' O ' ' A' ' 15' ' ' SER . 4.4 m -152.38 134.74 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.726 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -113.21 137.99 50.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.24 2.98 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.043 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.613 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.4 tp10 -90.72 -53.71 4.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.685 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER -115.71 17.17 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.619 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 2.8 pttm 51.81 58.57 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.208 HD23 ' CZ ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -115.07 110.9 20.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 111' ' ' VAL . 6.4 m -135.95 146.94 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.84 144.41 9.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.8 p-10 -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 158.58 149.99 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.95 -33.93 4.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.97 ' HB1' ' HE3' ' A' ' 127' ' ' LYS . . . -62.87 -32.26 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -50.34 -34.54 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -64.26 -57.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.781 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -57.76 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.97 ' HE3' ' HB1' ' A' ' 123' ' ' ALA . 1.1 mptm? -42.67 -50.79 5.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 1.212 ' CD1' HD22 ' A' ' 7' ' ' LEU . 6.3 t80 -100.33 -90.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.8 OUTLIER -95.54 89.71 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 132' ' ' ARG . 2.8 pp -48.61 -157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.62 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 3.6 mp0 -54.18 -65.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -34.53 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.956 ' HG2' HD11 ' A' ' 14' ' ' ILE . 15.5 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.502 0.191 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.74 124.76 14.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 14.7 p90 -173.29 108.31 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -83.91 -42.7 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 6' ' ' THR . 4.5 mmmm -77.95 -11.64 59.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 5' ' ' LYS . 15.3 t 49.41 -160.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 81.63 133.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -45.98 94.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . 32.4 mtp85 61.52 137.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 2.9 pt20 -89.26 134.35 33.15 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.738 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -140.25 -51.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.975 HG21 ' CH2' ' A' ' 113' ' ' TRP . 29.8 m -99.78 111.3 23.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.944 HG22 ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm -100.89 115.15 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.9 OUTLIER -97.27 104.35 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.944 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -104.6 136.37 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -103.4 154.32 19.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.75 HG22 HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -104.73 140.31 38.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.624 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -149.61 63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 53.0 155.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.238 HD12 ' CG ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -168.31 -69.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.739 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -152.0 -127.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.673 ' C ' ' OE1' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -55.24 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 10.5 m120 -84.11 89.14 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.043 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.9 mm -43.27 -29.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.39 -45.26 26.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.811 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 t -65.84 -71.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.238 ' CG ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -39.53 -34.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.765 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -47.08 -87.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.631 ' O ' HD12 ' A' ' 34' ' ' LEU . 45.6 m -95.16 -47.63 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.4 mm? -36.9 -38.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.896 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 6.3 mm100 -78.75 -46.11 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' CD1' ' OE1' ' A' ' 131' ' ' GLN . 5.6 tp -51.8 -43.12 62.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.958 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -78.86 -20.21 50.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -0.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -94.43 -74.98 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.84 -166.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.794 HG13 ' N ' ' A' ' 39' ' ' SER . 2.8 p -164.24 -145.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.794 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.0 m 94.62 106.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -46.15 121.96 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HB3' ' C ' ' A' ' 133' ' ' LYS . 2.5 mmt85 -151.1 -99.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.858 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -93.73 174.75 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.07 120.74 39.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.958 HG11 HD21 ' A' ' 34' ' ' LEU . 33.2 t -87.84 126.73 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -111.23 115.79 29.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.81 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -107.67 109.92 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -135.51 145.99 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.583 ' HB3' ' CB ' ' A' ' 18' ' ' THR . 9.0 p30 -120.55 118.7 30.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -168.31 163.64 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CD1' ' O ' ' A' ' 92' ' ' MET . 0.8 OUTLIER -71.76 114.53 29.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 14.8 p -57.68 146.76 29.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.743 ' HA ' HD22 ' A' ' 56' ' ' LEU . 48.8 p90 -55.13 -24.01 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 107.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -45.97 -63.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -88.33 -30.72 19.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.963 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -62.99 -23.7 67.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -45.65 -49.69 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.3 -54.27 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.769 ' HE3' HG12 ' A' ' 111' ' ' VAL . 3.9 mmt -65.84 -28.78 69.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -55.69 -41.91 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -39.25 80.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -84.38 51.39 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.06 145.66 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -35.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -88.83 -18.91 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . 33.71 -99.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.91 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 -42.14 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t -45.86 -38.82 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -41.49 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 109' ' ' LEU . 2.9 mm? -72.94 -55.38 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 2.4 mm100 -51.0 -32.28 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -78.79 -20.95 48.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -68.1 -40.04 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.061 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -80.8 163.03 57.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -75.01 144.18 29.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.48 56.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -46.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 4.3 p-10 -40.49 -28.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 1.3 p -77.85 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.061 HG11 HG22 ' A' ' 74' ' ' ILE . 9.3 p -75.68 -32.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.1 tm? -59.73 -13.61 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.77 -103.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.592 ' CA ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -135.67 3.91 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -61.79 -141.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 89' ' ' THR . 2.0 m170 -30.53 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.892 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.76 -30.83 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -40.85 -158.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.945 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.08 26.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.88 -45.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.813 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.1 m-85 -106.83 -28.58 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -45.41 -101.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.763 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.51 -46.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.3 OUTLIER -128.64 102.34 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.22 -47.89 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 1.051 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.48 -25.18 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.744 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 47.8 t -98.66 -35.21 10.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.775 HG23 ' CE1' ' A' ' 90' ' ' PHE . 6.3 t -80.69 -26.62 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.76 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 172.35 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -58.25 -165.83 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 90' ' ' PHE . 1.5 tt 37.64 -95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.612 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -145.99 140.11 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.439 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . 2.7 p30 -85.58 107.64 13.23 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.828 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -14.56 21.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.828 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 31.78 44.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 1.8 mm-40 -116.28 159.46 21.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . . . -111.89 128.64 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.9 mm? -94.15 117.0 29.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.866 ' CH2' HD11 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -105.65 130.22 53.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -157.07 131.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 110' ' ' TRP . 5.1 t70 -128.48 142.3 51.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.975 ' CH2' HG21 ' A' ' 13' ' ' THR . 12.4 p-90 -125.77 18.35 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.62 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -92.02 -46.95 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.617 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.3 m-20 -116.8 21.17 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.617 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 19.6 pttt 54.6 53.33 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' CD1' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -131.07 141.29 50.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 111' ' ' VAL . 95.6 t -148.63 169.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.616 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 176.92 151.08 8.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.1 p-10 -93.78 155.16 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER 81.39 156.35 0.12 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.02 -41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.92 -26.65 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.63 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -55.84 -49.67 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -49.27 -54.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.693 ' HA ' ' CB ' ' A' ' 130' ' ' ILE . 1.1 t0 -50.85 -46.72 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.545 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.82 -55.16 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.743 ' CB ' HD13 ' A' ' 129' ' ' ILE . 20.4 m-30 -87.76 -81.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.866 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -119.71 87.34 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.903 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.67 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.903 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -54.8 2.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.797 HH21 HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -167.37 71.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.672 ' HB2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.498 0.19 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 84.4 p -138.84 91.77 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 2' ' ' SER . 12.3 m-85 -152.19 58.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -40.8 20.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.046 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' CB ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -77.53 -41.19 40.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' HB ' ' CE ' ' A' ' 133' ' ' LYS . 7.3 t -98.28 152.72 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -114.48 -16.75 11.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' HB2' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -179.49 89.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.81 132.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 -89.25 128.26 52.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HG3' ' OH ' ' A' ' 128' ' ' TYR . 18.5 Cg_endo -75.0 -158.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.5 -43.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' OE1' ' A' ' 114' ' ' GLU . 39.4 m -103.28 114.54 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 16' ' ' LEU . 6.0 mm -101.97 113.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.95 106.15 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 14' ' ' ILE . 2.5 mm? -110.99 126.04 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.916 ' CD2' HD21 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -99.69 133.32 44.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.911 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.1 m -91.89 144.6 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' PRO . 59.8 t30 -140.91 54.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.792 ' C ' HG13 ' A' ' 21' ' ' ILE . 21.1 t70 64.57 168.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.039 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 179.17 -91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -138.93 -135.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 22' ' ' ALA . 53.2 m -33.02 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.711 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -87.18 92.89 9.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.005 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.84 -36.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.6 -58.42 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.945 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -60.61 -67.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.862 ' HB3' HD12 ' A' ' 21' ' ' ILE . 33.0 tp60 -40.05 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 1.039 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.669 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 m -79.83 -57.09 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 108.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.945 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -33.1 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 31.1 mm-40 -79.19 -50.32 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -54.08 -49.51 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -71.0 -17.19 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.0 tttp -59.89 -6.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.569 ' HA3' HE21 ' A' ' 131' ' ' GLN . . . -66.89 -59.8 6.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' H ' ' CG ' ' A' ' 131' ' ' GLN . 63.0 m-20 -159.14 74.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -90.5 176.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER 177.12 -46.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 162.32 -99.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.662 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.78 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.2 mmp_? 63.94 -64.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -138.13 175.48 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.65 116.35 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 46' ' ' ILE . 98.8 t -91.65 136.23 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.717 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -105.97 113.9 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.81 101.4 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.65 143.77 39.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 0.4 OUTLIER -104.86 116.59 32.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.809 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -165.87 155.44 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 94' ' ' LEU . 35.7 t80 -73.77 136.26 77.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.05 65.62 6.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.502 HG22 ' HD2' ' A' ' 50' ' ' PHE . 33.0 p -58.96 143.38 48.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 1.6 m95 -55.1 -27.02 41.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -58.82 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.43 -51.61 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.775 ' C ' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.04 -23.85 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.546 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -42.54 -26.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.0 m-85 -67.95 -51.93 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.636 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -75.54 -29.81 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.01 -39.87 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.53 -45.97 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -56.85 -46.96 81.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -127.12 139.57 35.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.14 4.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.711 ' HA ' HG12 ' A' ' 68' ' ' VAL . 1.2 mt-30 -97.06 13.08 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -58.92 -41.49 96.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 65' ' ' GLN . 3.0 p -47.42 -30.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -67.27 -37.01 82.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -76.37 -53.85 7.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.49 -37.79 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.921 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.01 -17.4 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.606 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.776 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -84.71 141.67 38.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.3 Cg_endo -75.01 59.69 5.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 178.21 37.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.921 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.3 -61.5 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 6.6 t70 -40.63 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.524 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -87.07 -58.1 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.915 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 7.7 p -81.15 -43.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.857 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -55.95 -5.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -127.67 -97.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.624 ' C ' HG22 ' A' ' 86' ' ' THR . 10.7 m-85 -168.94 8.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.732 ' O ' ' N ' ' A' ' 86' ' ' THR . 4.1 ttpp -55.48 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.632 ' O ' ' CG2' ' A' ' 89' ' ' THR . 18.4 m-70 -36.96 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.108 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.3 t -53.44 -16.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.112 ' HB2' ' HD2' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -31.88 -141.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.112 ' HD2' ' HB2' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.07 19.26 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.632 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.1 t -80.0 -49.53 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 1.132 ' CD1' HD12 ' A' ' 94' ' ' LEU . 8.5 m-85 -102.0 -27.84 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -44.67 174.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.81 ' HE1' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 37.01 -78.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.019 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -112.37 102.91 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.132 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.54 -30.31 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.65 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -45.24 -27.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -66.11 -32.09 73.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.663 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 16.7 m -97.18 -49.88 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.649 HG23 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -57.19 -33.37 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.675 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -41.44 -24.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 149.75 -16.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.722 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -56.96 -161.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 26.99 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.877 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -140.72 151.19 44.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER -86.98 99.92 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.877 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.06 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.716 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 172.81 32.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 20.3 mm-40 -107.06 149.63 27.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -128.89 129.23 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.916 HD21 ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -122.9 127.86 49.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 3.9 p-90 -101.66 138.46 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' SER . 13.7 m -148.68 115.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.522 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -99.26 150.24 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.533 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 7.1 t90 -123.23 6.0 9.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -88.2 -46.25 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.573 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -113.76 19.41 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 9.6 ptpt 53.04 53.87 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.942 HD13 ' CE1' ' A' ' 128' ' ' TYR . 2.0 mt -113.78 139.15 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 59' ' ' MET . 17.1 t -148.32 155.14 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.99 113.51 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 7.7 p-10 -68.85 -175.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER 77.8 146.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.555 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.06 -41.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.24 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.711 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 1.6 t0 -59.2 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.767 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.19 -51.97 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.905 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -49.21 -53.72 20.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 32.9 mmtt -57.67 -55.94 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 129' ' ' ILE . 2.9 t80 -67.88 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.949 HG13 ' CD2' ' A' ' 128' ' ' TYR . 1.2 pp -137.61 92.7 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.905 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -54.91 -163.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.783 ' N ' HG12 ' A' ' 130' ' ' ILE . 1.7 mp0 -53.72 -50.44 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.827 ' HG3' HD11 ' A' ' 130' ' ' ILE . 2.9 ptp180 -103.2 57.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.797 ' HG3' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -147.32 -65.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 60.54 131.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -71.47 -46.99 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 107.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.758 ' CG ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -86.71 -47.92 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER 60.19 126.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.437 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -179.36 -173.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -108.41 92.27 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 64.1 123.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -69.91 134.23 87.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.06 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' H ' ' CB ' ' A' ' 114' ' ' GLU . 48.6 mtt-85 -134.96 -68.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -89.79 118.6 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.939 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 5.6 mm -98.21 110.94 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.679 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -100.69 103.36 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.051 HD21 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -115.97 146.86 41.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.642 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-85 -123.73 150.87 43.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.855 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -99.07 139.8 34.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.7 t-20 -144.52 64.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.881 ' HB2' HG13 ' A' ' 98' ' ' VAL . 9.7 t0 55.73 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.129 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -177.85 -91.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -137.93 -139.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.3 m -31.31 -92.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.677 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 31.2 m120 -82.54 101.44 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.129 ' O ' HD11 ' A' ' 21' ' ' ILE . 11.6 mm -47.83 -35.48 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.809 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -82.62 -58.49 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.746 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -57.43 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.98 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.8 tp60 -39.93 -32.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 1.007 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -55.18 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.782 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -93.71 -53.65 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 108.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.746 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 2.6 mm? -33.35 -42.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.767 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.0 mm100 -81.69 -30.85 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -69.95 -51.38 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.942 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -77.25 -9.93 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -50.94 -14.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -68.34 -77.23 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 131' ' ' GLN . 1.5 m-20 -120.07 173.84 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -178.85 158.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.619 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.7 t 149.28 167.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.1 m80 -37.52 105.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HG3' ' HD2' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -158.15 -66.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.685 ' CD2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -162.21 169.07 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -98.15 119.05 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.942 HG11 HD21 ' A' ' 34' ' ' LEU . 12.9 t -93.93 126.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -101.19 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -108.98 105.16 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.642 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.63 136.82 33.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.525 ' HA ' ' HB ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -92.41 117.42 29.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -167.67 161.17 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 10.3 t80 -72.81 133.44 82.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 62.21 5.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 1.06 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.3 p -59.88 128.29 36.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.744 ' O ' ' N ' ' A' ' 57' ' ' GLN . 4.7 m-90 -61.88 -16.69 52.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.82 -56.29 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -42.81 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.06 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.2 -18.17 65.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' TRP . 20.5 tp60 -39.17 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LEU . 23.1 m-85 -71.09 -52.77 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -76.5 -35.42 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -54.73 -23.95 20.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -86.92 -44.96 11.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -67.74 -19.39 65.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -127.0 132.65 24.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.317 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.87 4.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.659 ' HA ' HG22 ' A' ' 68' ' ' VAL . 8.8 mt-30 -95.74 12.09 31.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.557 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.88 -47.36 91.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.107 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -75.0 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 65' ' ' GLN . 4.2 m -48.29 -29.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 6.0 t -67.05 -33.81 76.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 56' ' ' LEU . 1.9 mt -75.52 -52.79 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.72 -38.36 87.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.835 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.9 mmm180 -80.66 -16.32 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -68.87 -40.76 79.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.632 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -74.02 166.6 43.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB2' ' CE3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -74.93 -64.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 59.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.892 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.97 -60.5 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.34 -27.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.535 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -78.6 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.97 HG23 ' OG1' ' A' ' 86' ' ' THR . 8.5 p -79.03 -30.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -59.77 -9.37 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -132.35 -88.33 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.679 ' C ' HG22 ' A' ' 86' ' ' THR . 3.2 t80 -173.87 9.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.741 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.25 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.2 m-70 -36.42 -18.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.125 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.4 t -52.47 -15.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.203 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 0.8 OUTLIER -31.12 -143.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.203 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -74.99 18.7 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.3 t -79.49 -49.77 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 1.029 ' CD1' HD12 ' A' ' 94' ' ' LEU . 2.4 m-85 -100.47 -21.45 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.749 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -44.94 -174.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.895 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 28.88 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.64 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.4 m-20 -108.53 102.25 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.029 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.18 -27.32 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.78 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 36.2 tp60 -48.15 -31.17 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 19.2 mmtp -62.1 -35.1 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.0 m -88.3 -26.46 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 20' ' ' ASP . 65.8 t -75.8 -16.22 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.78 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 5.2 mm100 -46.22 -12.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.77 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 122.91 10.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -90.41 -122.94 2.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 2.31 -79.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.808 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -143.61 165.0 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -103.57 86.16 1.1 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.808 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.99 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -157.76 39.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 4.1 mm-40 -119.79 152.58 37.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.0 142.88 46.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.14 132.62 51.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.939 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.7 t-105 -128.77 122.61 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.84 HG12 ' HB ' ' A' ' 118' ' ' VAL . 34.6 m -140.2 131.02 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.754 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -112.69 133.93 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.69 3.85 25.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.55 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.6 tp10 -91.05 -52.62 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.679 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -116.95 18.24 14.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 51.81 54.79 10.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 2.6 tp -114.58 111.5 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.84 ' HB ' HG12 ' A' ' 111' ' ' VAL . 2.8 m -136.75 165.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.42 5.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 9.8 p-10 -83.91 160.7 21.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 86.88 151.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -74.94 -41.06 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.46 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.757 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -53.63 -40.91 66.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 1.051 HD11 HD21 ' A' ' 16' ' ' LEU . 1.4 mt -54.66 -58.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.977 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -47.68 -43.55 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -47.47 -55.73 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.757 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -91.47 -76.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 125' ' ' ILE . 1.3 pp -119.96 95.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.977 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -59.92 -158.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.618 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.4 mp0 -53.51 -44.97 69.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.734 ' O ' HD11 ' A' ' 130' ' ' ILE . 6.4 tmm_? -112.19 93.94 4.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.695 ' HD2' HG22 ' A' ' 129' ' ' ILE . 1.9 tmtp? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.521 0.2 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -135.98 105.09 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -93.78 60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -81.3 -50.02 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HG3' ' C ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -86.34 -12.66 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.87 127.46 35.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.733 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -163.29 131.46 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ARG . 1.4 tp60 46.33 -160.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -35.81 138.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.87 127.11 92.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' HB3' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 148.67 35.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -120.39 -88.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.747 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 m -90.57 120.66 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.718 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 mm -96.99 121.78 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.8 105.08 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 110' ' ' TRP . 1.3 mm? -108.08 139.14 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.4 m-85 -111.8 158.21 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 29' ' ' LYS . 1.8 m -106.08 141.0 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.57 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 m-80 -148.78 71.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER 51.15 163.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.193 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 179.99 -98.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.46 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.646 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.5 t 15.68 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.634 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.6 m-20 -90.31 98.35 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.193 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.66 -31.05 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.7 -56.96 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 m -55.77 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.031 ' HB3' HD12 ' A' ' 21' ' ' ILE . 6.1 tp-100 -45.15 -30.95 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.993 ' CE ' ' HB2' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -52.02 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 m -95.12 -50.57 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.0 mm? -34.51 -40.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.723 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 5.5 mm-40 -79.69 -44.86 20.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.907 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -52.81 -41.3 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.63 -23.55 49.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -8.8 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.25 -50.79 3.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.761 ' HB2' HE21 ' A' ' 131' ' ' GLN . 21.6 m-20 -106.42 -100.11 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 132' ' ' ARG . 1.5 p -176.06 168.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.624 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 87.4 p -128.59 153.99 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.638 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.1 m-70 172.07 -98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.738 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -14.64 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 44' ' ' VAL . 3.5 p90 -106.24 165.72 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.56 132.2 48.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 42' ' ' PHE . 36.5 t -87.88 137.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -104.67 113.07 26.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.854 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -112.8 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.75 137.21 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.646 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -103.94 116.84 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -165.56 155.59 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.32 110.17 6.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.675 ' HB2' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 60.98 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.728 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.12 145.45 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.917 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -59.89 -25.65 65.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -45.84 -59.64 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 58' ' ' TYR . 1.2 mt-30 -86.17 -41.17 14.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.017 ' C ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -51.19 -20.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -39.22 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.816 ' CE2' ' CE2' ' A' ' 113' ' ' TRP . 8.1 p90 -71.66 -45.4 62.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -76.8 -33.22 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.655 ' HB2' HD11 ' A' ' 56' ' ' LEU . 15.9 ttt180 -55.8 -20.08 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 -45.98 9.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -62.99 -11.76 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.635 ' HB2' HG22 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -161.48 141.5 7.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -29.63 8.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.614 ' HB3' HG12 ' A' ' 68' ' ' VAL . 3.6 mt-30 -96.73 11.38 35.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -47.31 -53.17 12.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.861 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 -49.03 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.993 HG22 ' HD2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -48.96 -31.34 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -67.79 -34.33 76.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.6 mt -73.54 -46.8 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.569 ' OE1' ' CZ3' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -65.53 -42.85 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.993 ' HD2' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -73.95 -18.34 60.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.77 ' HG3' HD22 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -64.88 -41.91 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.834 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -64.29 173.05 1.63 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.834 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -41.47 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.644 ' H ' HG23 ' A' ' 74' ' ' ILE . 3.6 mtpt -109.46 87.84 2.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -67.75 -61.1 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -40.95 -27.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.523 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.35 -61.58 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 86' ' ' THR . 7.1 p -79.14 -31.86 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -57.95 -15.49 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -114.54 -100.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.654 ' C ' ' CG2' ' A' ' 86' ' ' THR . 1.1 t80 -142.7 4.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 tttt -63.42 -139.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 1.02 ' CD2' HD11 ' A' ' 102' ' ' LEU . 8.6 m170 -28.56 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.911 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.35 -29.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.997 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.59 -158.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.97 20.69 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.38 -43.93 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.846 ' CE1' HG23 ' A' ' 98' ' ' VAL . 9.4 m-85 -104.59 -20.66 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.35 -140.44 0.0 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.772 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -17.39 -50.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.646 ' N ' ' O ' ' A' ' 91' ' ' GLY . 2.1 m-20 -115.69 104.65 11.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -91.64 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.738 ' O ' ' N ' ' A' ' 99' ' ' GLN . 60.7 mm-40 -52.87 -27.93 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.605 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 2.1 mmmm -59.44 -29.87 68.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.701 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 42.2 t -104.09 -41.54 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.846 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -75.73 -16.12 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 95' ' ' GLN . 6.4 pt20 -35.28 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' VAL . 10.4 tpt180 158.07 -21.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -64.07 -148.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 29.35 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.697 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -141.63 153.13 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.1 p30 -86.38 108.82 19.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.5 Cg_endo -75.01 -32.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.19 30.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 105' ' ' PRO . 28.9 mt-10 -113.97 153.84 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.993 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.26 133.7 55.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -91.58 115.26 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.82 ' CZ2' ' CE2' ' A' ' 128' ' ' TYR . 5.9 p-90 -102.74 119.39 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 15' ' ' SER . 4.0 m -145.41 130.64 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.817 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -122.74 142.17 51.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.816 ' CE2' ' CE2' ' A' ' 58' ' ' TYR . 2.0 m95 -98.14 -95.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' HB2' ' A' ' 113' ' ' TRP . 29.0 mt-10 -46.64 -14.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.817 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -87.75 -4.99 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER 44.43 38.69 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -138.21 123.6 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.722 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -143.84 159.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.571 ' HA3' ' NE1' ' A' ' 110' ' ' TRP . . . 169.97 -167.3 40.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.9 t30 -128.56 163.65 24.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.0 mt-10 91.87 143.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.64 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.57 -39.89 74.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.603 HD11 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.64 -55.44 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.815 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -52.14 -45.95 65.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.553 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -50.99 -60.4 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.82 ' CE2' ' CZ2' ' A' ' 110' ' ' TRP . 36.3 m-85 -79.15 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -132.94 97.46 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.854 HD12 ' H ' ' A' ' 132' ' ' ARG . 0.5 OUTLIER -43.65 -125.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.761 HE21 ' HB2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -104.9 -24.94 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.854 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -125.85 -7.26 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.928 ' HB2' HG22 ' A' ' 129' ' ' ILE . 4.2 tptm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.46 0.171 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER 173.61 143.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 2' ' ' SER . 38.1 m-85 -167.19 171.55 10.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -76.97 -47.16 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HD3' HG13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -82.67 -19.91 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 8.8 t 38.08 -148.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.855 HD12 HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 90.06 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' ARG . 25.1 tp60 -43.12 139.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 59.08 134.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.21 129.04 53.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HB2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.04 138.42 22.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.584 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 8.1 mtt180 -111.31 -49.3 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.599 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 31.0 m -123.89 117.92 25.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 11' ' ' PRO . 6.4 mm -93.2 108.75 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.569 ' CB ' HG12 ' A' ' 111' ' ' VAL . 19.5 m -102.53 96.19 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 HG22 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -102.96 143.49 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 70.8 m-85 -121.11 153.44 37.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.915 HG22 HG22 ' A' ' 25' ' ' ILE . 1.2 m -97.35 141.76 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.649 ' OD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -146.62 74.41 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 21' ' ' ILE . 6.2 t0 67.23 -179.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.95 HG21 ' HB3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER 167.15 -76.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.832 ' N ' HG22 ' A' ' 21' ' ' ILE . . . 170.45 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 t -66.0 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.647 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.9 m-20 -113.28 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.94 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 2.2 mp -58.84 -41.26 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -72.25 -53.62 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.92 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -61.31 -70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.95 ' HB3' HG21 ' A' ' 21' ' ' ILE . 2.7 tt0 -42.71 -40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.844 ' HA ' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -42.36 -82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -98.26 -52.85 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -32.25 -44.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 12.3 mm-40 -79.0 -44.65 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.8 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -51.93 -44.45 63.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.902 HD21 HG21 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.1 -19.24 47.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' GLN . 10.4 tttt -59.04 -12.23 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.12 -90.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB3' ' NE2' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -92.71 -161.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 39' ' ' SER . 0.7 OUTLIER -141.84 153.69 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER 173.29 -146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.565 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 0.8 OUTLIER 158.75 117.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -171.44 -36.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -106.35 171.4 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.37 122.85 47.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.902 HG21 HD21 ' A' ' 34' ' ' LEU . 9.6 p -102.18 140.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -123.53 114.33 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 46' ' ' ILE . 3.0 mp -111.77 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.82 137.58 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' H ' ' A' ' 18' ' ' THR . 10.6 p30 -91.78 123.04 34.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.6 mmt-85 -162.38 159.77 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.729 ' CB ' ' HB3' ' A' ' 94' ' ' LEU . 54.0 p90 -80.87 112.7 34.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.778 ' HG3' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.07 68.13 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.99 151.08 36.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.775 ' HA ' HD22 ' A' ' 56' ' ' LEU . 9.5 p90 -68.45 -23.96 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.03 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -56.69 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.86 -42.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.854 ' CD1' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.53 -23.23 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -42.63 -27.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' LEU . 14.3 m-85 -74.09 -54.98 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.802 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mtt -71.84 -33.42 68.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' HA ' ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -50.89 -38.01 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -73.49 -42.59 61.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -86.32 15.09 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.1 t -139.46 135.64 17.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 108.239 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.31 3.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.837 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -80.82 -22.74 39.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 60' ' ' ARG . . . 35.45 -119.78 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -34.75 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -46.81 -30.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -74.74 -45.92 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.854 HD23 ' CD1' ' A' ' 56' ' ' LEU . 2.4 mm? -69.16 -48.7 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 13.8 mm-40 -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 5.5 mmt180 -59.48 -21.32 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.51 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 2.2 tp-100 -73.07 -38.24 66.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.992 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -81.95 164.33 49.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.573 ' CG ' ' CB ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.04 131.51 14.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 80' ' ' VAL . 12.2 tttt 79.44 63.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -56.44 -62.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.617 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.9 p-10 -44.54 -25.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.4 -61.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.992 HG11 HG22 ' A' ' 74' ' ' ILE . 7.2 p -75.47 -38.91 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.08 -16.13 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.25 -106.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.657 ' C ' ' CG2' ' A' ' 86' ' ' THR . 5.6 m-85 -135.38 3.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -62.21 -143.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.954 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.4 m170 -27.84 -32.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.92 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.77 -27.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.92 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -40.18 -157.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.913 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 26.54 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.37 -43.1 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 74' ' ' ILE . 13.8 m-85 -105.38 -29.92 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 50' ' ' PHE . . . -47.38 -105.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.789 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -30.67 -51.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.717 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -127.14 101.32 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.01 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -102.0 -23.02 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.859 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -71.45 -63.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 100' ' ' ARG . 10.2 mmmm -48.94 -21.85 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.65 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -89.57 -54.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 74' ' ' ILE . 29.3 t -77.4 -60.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.764 ' HG3' ' CB ' ' A' ' 95' ' ' GLN . 5.5 mm100 -45.24 -19.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 176.02 85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . 161.57 171.81 28.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.954 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 46.26 -92.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CB ' ' CG ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -142.98 154.77 44.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 107.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 20' ' ' ASP . 6.0 m-20 -101.8 105.67 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.788 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.93 -7.86 19.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.788 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.7 54.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 9.7 mm-40 -139.83 158.56 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.76 136.32 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.778 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.48 135.77 33.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.674 ' CE3' ' OD1' ' A' ' 112' ' ' ASP . 13.9 p-90 -125.96 118.02 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.944 HG23 HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -134.6 133.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.733 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -129.94 133.31 46.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.644 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER -102.05 -77.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -0.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.733 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.94 -12.06 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 5.9 ptmt 51.83 36.2 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.07 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -135.58 120.78 18.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.944 HG13 HG23 ' A' ' 111' ' ' VAL . 47.6 t -133.14 168.88 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.613 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 160.22 165.2 16.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.647 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 16.1 p-10 -118.61 114.14 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 148.36 145.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.727 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.98 -30.62 7.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.478 ' HB1' ' CE ' ' A' ' 127' ' ' LYS . . . -66.59 -26.95 67.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.643 ' OD2' ' CD1' ' A' ' 110' ' ' TRP . 56.6 m-20 -56.24 -51.81 66.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.8 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.31 -54.28 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.706 ' HA ' HG22 ' A' ' 130' ' ' ILE . 4.7 t70 -51.19 -56.33 13.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -52.83 -51.25 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 1.07 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.16 -87.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -116.12 91.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 129' ' ' ILE . 1.8 pp -41.52 -133.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.695 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.82 -55.93 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.94 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -151.94 116.57 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.54 ' O ' ' CD ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.473 0.177 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -142.2 73.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' ' 6' ' ' THR . 0.9 OUTLIER -38.4 115.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.62 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CB ' ' HG3' ' A' ' 133' ' ' LYS . 1.7 mmpt? -72.1 -25.65 61.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 3' ' ' PHE . 37.3 p 45.85 100.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 174.5 97.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -46.04 165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 32.03 87.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 1.6 pt20 -79.65 134.76 57.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.539 ' HB3' ' HB2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.617 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 7.5 ttt-85 -144.26 -54.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' HD13 ' A' ' 14' ' ' ILE . 53.7 m -93.95 112.7 24.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.789 HG23 ' OD1' ' A' ' 112' ' ' ASP . 2.7 mm -100.89 112.81 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB3' HG12 ' A' ' 111' ' ' VAL . 14.9 t -98.69 100.63 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.963 ' CD2' HD11 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -103.84 134.41 47.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CB ' HD13 ' A' ' 109' ' ' LEU . 30.5 m-85 -104.01 154.18 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.65 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.8 m -97.3 143.31 28.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.598 ' OD1' HD11 ' A' ' 109' ' ' LEU . 1.2 m120 -149.25 39.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.961 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.5 t0 54.54 154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.044 HD13 ' HB3' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -162.71 -41.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' ' 25' ' ' ILE . . . -172.8 -133.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ALA . 5.6 t -36.41 -89.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.723 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -81.94 101.19 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.997 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -44.45 -46.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -78.62 -63.26 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.811 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -49.24 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.044 ' HB3' HD13 ' A' ' 21' ' ' ILE . 43.3 tp60 -40.48 -32.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 1.066 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.81 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.9 t -93.17 -53.19 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' C ' ' A' ' 27' ' ' SER . 2.7 mm? -32.95 -36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.861 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.3 mm100 -82.35 -42.68 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER -58.6 -45.73 88.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.937 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -75.23 -18.67 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 54.5 tttt -56.77 -12.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -74.35 -92.52 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.787 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.4 m-20 -78.68 -167.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 37' ' ' ASP . 2.1 t -165.57 152.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER 170.16 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 41' ' ' ARG . 11.3 p-80 -122.89 -111.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER 76.3 -69.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.5 175.96 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.12 139.12 34.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.937 HG11 HD21 ' A' ' 34' ' ' LEU . 92.5 t -90.06 142.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.786 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -98.97 116.79 32.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 2.1 mp -117.72 97.91 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.686 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -146.7 143.55 28.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.55 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 5.2 p30 -85.49 123.57 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.0 tpt180 -132.85 152.07 51.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.86 141.2 54.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.01 59.28 5.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 1.049 ' O ' HD22 ' A' ' 56' ' ' LEU . 52.8 p -100.83 128.37 46.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.614 ' O ' ' N ' ' A' ' 57' ' ' GLN . 21.9 p90 -71.84 -19.79 61.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 37.1 t0 -50.65 -57.46 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HB3' HD13 ' A' ' 56' ' ' LEU . 8.6 tp60 -82.18 -51.02 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.03 -13.85 19.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 53' ' ' TRP . 5.5 tt0 -36.68 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.9 t80 -64.81 -56.15 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.823 ' HB3' HG21 ' A' ' 118' ' ' VAL . 3.6 mmt -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CG ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -58.97 -39.98 83.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.431 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -65.77 -44.96 84.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 p -87.63 43.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -175.28 138.68 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 108.319 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -92.26 11.02 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.632 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -12.39 -94.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 18.4 Cg_endo -74.98 -28.37 9.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG12 ' HD3' ' A' ' 72' ' ' ARG . 14.0 t -43.98 -52.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 21.4 m -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.971 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.81 -53.41 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -65.43 -54.84 22.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.682 ' HD3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -55.14 -22.62 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 69' ' ' SER . 2.8 mm100 -69.61 -42.03 74.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -66.81 169.89 7.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 21.9 mmtt -89.01 56.45 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.51 -63.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.622 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 9.6 t70 -39.49 -28.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -82.08 -59.08 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 74' ' ' ILE . 5.2 p -75.81 -24.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.883 ' N ' ' O ' ' A' ' 77' ' ' LEU . 5.3 tp -63.39 4.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -140.4 -102.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.68 ' C ' ' CG2' ' A' ' 86' ' ' THR . 92.1 m-85 -136.21 1.12 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.95 -139.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.891 ' CG ' HD11 ' A' ' 102' ' ' LEU . 34.7 m170 -31.05 -31.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.916 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.38 -29.14 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.916 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -38.74 -160.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.99 25.04 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -96.34 -42.19 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.701 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -105.53 -28.78 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.629 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -49.65 -116.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.718 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -25.35 -48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.635 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -122.18 101.84 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.43 -56.18 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 1.03 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -55.54 -29.38 58.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 15.1 mmmt -61.84 -28.48 69.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.684 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.2 m -96.47 -47.09 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 94' ' ' LEU . 2.7 t -63.01 -33.09 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.645 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.31 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 152.55 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -54.45 -107.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.891 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -28.7 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.679 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -143.59 158.36 43.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 18.6 p-10 -105.25 91.48 4.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.817 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -150.06 59.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -141.18 150.18 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.53 126.26 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -94.37 128.67 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ3' ' CE2' ' A' ' 128' ' ' TYR . 18.5 p-90 -106.41 142.34 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -158.46 127.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.789 ' OD1' HG23 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -128.95 140.62 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.679 ' CG ' ' HE1' ' A' ' 59' ' ' MET . 0.4 OUTLIER -115.37 12.51 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.617 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -91.43 -46.65 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -113.14 20.1 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 53.12 41.81 32.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.14 HD13 ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -109.73 130.36 55.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 111' ' ' VAL . 24.5 t -144.26 150.82 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 174.6 -162.0 31.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 73' ' ' GLN . 10.9 p-10 -137.45 -175.6 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 2.2 tt0 77.94 142.02 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.99 -32.91 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.439 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -67.6 -27.66 67.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.734 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -54.72 -47.2 74.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.963 HD11 ' CD2' ' A' ' 16' ' ' LEU . 6.5 mt -50.75 -53.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 2.3 t0 -50.45 -54.27 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.41 -55.83 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 1.14 ' CE1' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -66.39 -79.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.878 HG13 ' CG ' ' A' ' 128' ' ' TYR . 1.1 pp -144.17 85.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.923 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -43.15 169.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.923 ' N ' HG12 ' A' ' 130' ' ' ILE . 5.8 pt20 -36.71 -45.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.875 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -73.82 -60.62 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.892 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 160.35 174.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 39.94 58.81 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.69 -45.69 15.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.774 ' CE ' HD12 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -69.99 -44.96 68.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.856 HG21 ' CD ' ' A' ' 11' ' ' PRO . 19.6 p -133.16 107.08 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD12 ' H ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -38.26 -46.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -144.9 129.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 0.8 OUTLIER 59.88 134.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.603 ' HA ' HG21 ' A' ' 6' ' ' THR . 6.2 mp0 -92.57 128.61 43.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.856 ' CD ' HG21 ' A' ' 6' ' ' THR . 18.3 Cg_endo -75.01 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -146.74 -41.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 49.9 m -109.11 117.08 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.669 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.0 mm -99.31 114.2 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.22 99.73 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 109' ' ' LEU . 3.4 tp -118.94 124.7 47.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.3 m-30 -96.73 153.29 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.885 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -105.81 144.09 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.525 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -141.35 71.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.782 ' C ' HG13 ' A' ' 21' ' ' ILE . 10.3 t70 50.12 170.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -179.54 -97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -131.27 -144.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.6 t -24.1 -84.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -89.43 94.83 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.866 ' C ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.33 -36.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.885 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -85.43 -60.61 1.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.73 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -54.41 -68.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.862 ' C ' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -43.51 -26.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.934 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -57.4 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.994 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -95.27 -50.97 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 108.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.734 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.1 mm? -36.61 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.77 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 21.5 mm-40 -79.83 -49.46 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 122' ' ' PRO . 3.5 tp -59.28 -48.87 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.026 HD23 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -74.49 -12.94 60.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -55.01 -11.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -60.85 -100.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -91.98 -173.66 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 1.0 OUTLIER 171.99 157.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.2 p 156.19 171.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -36.79 131.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.574 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.761 ' CG ' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tpm_? 175.0 -144.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.761 ' CE1' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -93.24 173.82 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.6 129.71 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG12 ' C ' ' A' ' 133' ' ' LYS . 0.7 OUTLIER -95.47 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.743 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -109.52 116.13 31.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.994 HG23 ' SG ' ' A' ' 30' ' ' CYS . 6.0 mm -113.97 101.39 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -142.8 141.27 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.53 ' HB2' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -106.59 119.81 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 ptt180 -163.8 158.85 20.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CD2' ' C ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -68.44 110.44 5.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.0 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.592 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -58.54 155.31 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.607 ' N ' ' CE3' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -60.15 -24.05 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -62.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.6 -36.61 20.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.993 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.65 -18.02 61.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.7 m-85 -62.71 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.941 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -78.28 -31.33 48.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.768 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.07 -28.5 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -89.48 -46.58 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 m -61.96 -27.58 68.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -130.93 141.7 42.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 27.1 tt0 -96.95 10.9 37.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.618 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -46.7 -50.99 13.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.669 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.04 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 65' ' ' GLN . 3.2 t -48.56 -31.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -62.02 -32.0 72.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.704 HD21 ' HG ' ' A' ' 56' ' ' LEU . 1.1 mm? -75.83 -52.47 10.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.49 -39.09 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.73 ' CD ' HD21 ' A' ' 77' ' ' LEU . 1.4 mmm180 -82.16 -20.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -74.49 -40.4 61.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.234 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -78.3 165.82 47.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.516 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.93 177.7 8.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 39.31 62.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.54 -25.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -77.55 -59.55 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.994 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 74' ' ' ILE . 6.4 p -82.93 -33.14 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -54.54 -5.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -127.4 -92.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.573 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -165.84 13.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.722 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.56 -150.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.658 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.2 m80 -35.57 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.064 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -51.11 -18.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.113 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -34.15 -143.49 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.113 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 19.37 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -79.11 -49.07 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.738 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.3 m-85 -97.07 -19.87 18.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.738 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.9 -147.34 0.0 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.701 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -4.47 -65.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.651 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.8 OUTLIER -110.41 106.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.648 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -90.11 -54.05 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.643 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -50.33 -25.69 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.1 mmmm -66.58 -28.08 68.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.72 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -100.33 -41.31 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.61 HG21 HD11 ' A' ' 94' ' ' LEU . 2.3 t -73.52 -25.23 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.643 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.41 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 163.22 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LEU . . . -46.08 -96.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -35.26 -92.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.661 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -149.37 155.8 41.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 108.028 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 2.1 p-10 -95.64 102.43 10.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.719 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -9.71 20.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.04 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -104.79 151.69 23.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.615 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.04 129.62 56.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.3 mt -103.55 114.03 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.808 ' CE3' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -110.27 131.95 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.712 ' HB ' HG22 ' A' ' 118' ' ' VAL . 18.8 m -156.48 127.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' LEU . 4.4 m-20 -105.9 144.33 32.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.44 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 2.2 t90 -116.75 4.84 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.592 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 3.5 mm-40 -90.64 -44.75 9.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -114.15 19.24 16.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.26 50.16 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.669 HD22 ' HH2' ' A' ' 110' ' ' TRP . 1.9 mt -108.53 142.56 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.941 HG21 ' HB3' ' A' ' 59' ' ' MET . 3.2 t -150.02 143.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . -178.24 128.72 1.31 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.8 p-10 -87.75 175.85 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.55 144.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.576 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.99 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.605 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -64.25 -28.94 70.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 2.7 t0 -62.77 -38.51 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.44 -58.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 1.05 ' O ' HG22 ' A' ' 130' ' ' ILE . 3.8 t0 -48.51 -54.19 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 14.1 mmtp -50.77 -49.63 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.99 ' HB3' HD13 ' A' ' 129' ' ' ILE . 33.5 m-85 -86.78 -90.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.99 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -110.77 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -75.16 -169.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.846 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.33 -50.83 28.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.994 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -46.16 -21.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.535 0.207 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 4' ' ' TRP . 88.2 p -166.98 -64.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -39.0 96.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 2' ' ' SER . 4.3 m0 -83.9 -36.59 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -84.3 -18.88 34.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 6' ' ' THR . 24.6 m -127.5 52.32 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.865 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.08 113.42 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.33 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' GLN . 83.9 mtt180 56.5 115.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 133' ' ' LYS . 2.5 pm0 -89.04 134.81 32.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 14' ' ' ILE . 18.2 Cg_endo -75.01 131.56 14.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 4.7 ttp180 -71.16 -29.44 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 14' ' ' ILE . 47.4 m -123.95 115.79 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.783 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm -100.88 125.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.924 ' HB3' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.06 98.54 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -109.6 128.33 55.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.648 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -97.84 154.44 17.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.962 HG23 ' CB ' ' A' ' 29' ' ' LYS . 95.2 m -102.1 140.01 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.601 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -136.94 43.04 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.938 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.63 158.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.061 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -156.43 -81.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -129.13 -137.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ALA . 36.8 m -38.21 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.717 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-80 -83.67 103.89 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.061 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -59.4 -42.27 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -76.55 -50.48 13.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 1.023 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.93 -69.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 12.3 tp-100 -40.33 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.962 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -54.55 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.955 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.9 t -89.75 -46.44 8.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.023 HD23 ' HA ' ' A' ' 27' ' ' SER . 1.2 mm? -37.73 -40.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.858 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 2.9 pp0? -69.08 -42.85 75.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD11 ' HB ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -59.42 -55.23 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.955 HD22 ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -65.31 -14.92 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -56.47 -8.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -78.61 -57.77 3.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -133.2 176.01 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -176.63 150.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.1 m 156.26 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 2.0 m80 40.83 -137.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 5.5 tpm_? 90.3 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CE2' HG22 ' A' ' 44' ' ' VAL . 28.3 p90 -92.16 173.75 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.66 125.98 44.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' CE2' ' A' ' 42' ' ' PHE . 16.7 t -89.99 139.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.783 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -100.92 111.38 23.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.803 HD12 ' N ' ' A' ' 46' ' ' ILE . 2.5 mp -116.96 95.76 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -141.96 137.64 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.676 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -96.44 117.08 30.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.19 154.35 10.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 94' ' ' LEU . 13.9 t80 -73.71 136.86 77.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 1.01 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.95 60.19 5.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.9 p -57.26 142.93 41.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.662 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -71.27 -22.49 61.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.61 -59.05 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.31 -38.65 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.18 -18.1 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -40.65 -27.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 56' ' ' LEU . 9.8 m-85 -67.5 -55.24 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.604 ' HE2' HG13 ' A' ' 111' ' ' VAL . 1.5 mtt -76.39 -34.47 58.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -53.81 -26.19 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.87 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -59.19 -38.33 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.2 m -124.41 142.38 40.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.625 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 11.2 mt-30 -81.5 14.34 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -28.36 -92.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.5 Cg_endo -74.89 -30.69 7.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -45.8 -40.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -33.1 54.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.01 HD13 ' HB2' ' A' ' 51' ' ' PRO . 2.0 mt -75.33 -58.83 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.4 mt-30 -54.36 -31.58 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.978 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.76 -19.45 48.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' HD22 ' A' ' 109' ' ' LEU . 2.8 tp60 -65.07 -38.92 92.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.758 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.71 140.08 47.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -74.97 50.4 2.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -165.89 28.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.978 HD13 ' CD ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -43.78 -63.37 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.476 ' N ' HD23 ' A' ' 81' ' ' LEU . 22.7 t70 -40.18 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.552 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -88.12 -59.34 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.636 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.9 p -79.06 -46.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.73 -13.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.93 -105.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' O ' ' O ' ' A' ' 84' ' ' LYS . 2.1 t80 -141.16 -6.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -57.9 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 1.188 ' CG ' HD11 ' A' ' 102' ' ' LEU . 63.0 m170 -29.7 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.934 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -48.54 -29.89 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.934 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -38.41 -160.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.96 23.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.67 -44.56 10.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.687 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -109.69 -23.9 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.687 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -38.12 -111.37 0.0 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.832 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -19.05 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.75 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.7 OUTLIER -110.53 106.56 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 95' ' ' GLN . 0.1 OUTLIER -66.05 -19.21 65.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 1.084 ' N ' HD23 ' A' ' 94' ' ' LEU . 11.1 tm0? -64.09 -30.72 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 50.2 mmtt -67.46 -20.85 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.641 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.8 t -96.94 -47.83 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -72.95 -22.4 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.638 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -37.3 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.6 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER 152.5 54.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.03 -159.76 9.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.188 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 40.26 -126.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.749 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 14.2 m0 -110.25 158.07 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.514 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 66.7 m-80 -73.83 105.17 1.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.833 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.3 Cg_endo -74.95 -24.46 12.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 5.71 57.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.833 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.8 mm-40 -139.53 152.58 47.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.98 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.76 124.15 37.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.058 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.7 t90 -103.82 129.91 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.924 HG12 ' HB3' ' A' ' 15' ' ' SER . 1.1 t -158.85 131.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.607 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.3 t70 -124.56 148.66 47.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.424 ' CE3' ' O ' ' A' ' 113' ' ' TRP . 1.6 t90 -132.52 7.44 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.1 tm-20 -90.3 -45.28 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -112.67 3.58 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.778 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.7 tttt 69.52 63.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 118' ' ' VAL . 0.3 OUTLIER -131.97 155.56 47.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.513 ' H ' HD23 ' A' ' 117' ' ' LEU . 9.7 m -153.93 165.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 171.21 -163.72 36.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -145.76 167.93 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.28 146.55 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.93 -24.68 67.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -55.05 -40.03 69.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.881 ' HB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -49.77 -52.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -50.76 -50.98 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -57.15 -59.52 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.58 ' O ' HD12 ' A' ' 7' ' ' LEU . 20.3 m-85 -66.29 -74.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.058 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -146.75 83.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.925 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -35.66 168.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.925 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.39 -19.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.772 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -146.25 90.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.78 ' CB ' HG22 ' A' ' 129' ' ' ILE . 3.6 pttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.467 0.175 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' PHE . 76.9 p -164.92 154.55 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' SER . 3.9 m-85 58.57 117.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -43.9 60.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -70.56 -48.59 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 6' ' ' THR . 15.3 t 28.42 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.08 137.51 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' ARG . 8.5 tp60 -51.61 118.67 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' GLN . 3.8 mmt180 60.66 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -85.96 131.02 48.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.906 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 151.1 39.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 40.4 mtt180 -118.3 -50.95 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.487 ' C ' HD13 ' A' ' 14' ' ' ILE . 22.9 m -105.86 113.81 27.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.816 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 4.1 mm -100.06 114.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -99.09 105.32 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -112.63 147.2 37.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.618 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 45.9 m-85 -122.14 152.23 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.703 ' CG2' HG22 ' A' ' 25' ' ' ILE . 2.3 m -100.77 140.27 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.713 ' OD1' HD21 ' A' ' 94' ' ' LEU . 2.0 t30 -140.47 61.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.649 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 50.87 160.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.124 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -170.29 -82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' CD ' ' A' ' 28' ' ' GLN . . . -151.0 -138.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 22' ' ' ALA . 12.8 t -33.53 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.2 m-80 -98.2 97.72 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.124 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -57.29 -37.51 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.32 -52.4 7.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -62.99 -64.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.997 ' HB3' HD12 ' A' ' 21' ' ' ILE . 4.1 tt0 -41.94 -32.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.773 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.04 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.691 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.5 t -96.67 -51.23 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 108.256 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 27' ' ' SER . 2.3 mm? -35.86 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.986 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -78.99 -50.22 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.9 tp -52.8 -43.32 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.873 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.46 -15.77 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.371 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 7.8 tttt -57.06 -9.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -88.13 -67.64 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -138.13 102.99 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 131' ' ' GLN . 9.1 p -143.12 171.34 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.529 ' H ' HG22 ' A' ' 38' ' ' VAL . 10.5 t 169.93 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -141.81 134.24 28.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 166.17 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.836 ' CE2' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -155.33 166.69 32.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.873 HG11 HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -100.95 127.34 54.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.756 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -106.52 112.32 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 45' ' ' GLU . 1.6 mp -110.21 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.89 139.68 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.63 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.8 p30 -101.58 121.57 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.758 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -163.75 158.47 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.781 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -70.22 120.68 79.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 48.53 2.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.7 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -60.83 166.63 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -61.31 -26.06 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -49.87 -58.27 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -33.61 21.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.09 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.91 -25.71 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 6.0 pt20 -42.5 -43.53 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 19.8 m-85 -63.44 -49.28 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE3' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -72.42 -28.68 63.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.78 -34.33 71.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 1.2 p -77.84 -46.41 21.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 55.0 p -83.53 42.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 155.98 129.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.16 3.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 36.8 tt0 -97.55 12.09 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -49.97 -49.87 34.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.02 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 72' ' ' ARG . 18.0 t -49.14 -31.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.526 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 67.7 m -67.07 -33.64 75.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.1 mt -72.98 -56.85 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.557 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.7 pt20 -61.25 -33.57 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.681 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.17 -16.59 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG3' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -69.35 -38.44 78.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.6 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.67 168.09 31.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -70.18 57.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.773 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.97 -64.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 2.0 t70 -45.79 -24.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.556 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -81.95 -58.98 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.943 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.68 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 12.5 p -75.87 -44.32 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.866 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -51.98 -15.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' C ' HG21 ' A' ' 86' ' ' THR . 8.6 tptt -110.69 -108.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.628 ' C ' ' CG2' ' A' ' 86' ' ' THR . 17.2 m-85 -134.89 1.17 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.744 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -64.14 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 1.062 ' CD2' HD21 ' A' ' 102' ' ' LEU . 36.1 m170 -25.13 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.647 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.888 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.17 -28.87 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.048 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -40.6 -156.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.048 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 17.52 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.53 -41.55 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 1.176 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.4 m-85 -104.55 -17.22 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -49.0 -149.99 0.0 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.914 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 5.0 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.73 ' H ' ' HG2' ' A' ' 92' ' ' MET . 5.0 m-20 -111.96 101.02 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.99 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -87.42 -45.7 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.968 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -55.21 -26.85 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -68.37 -28.64 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.17 -40.26 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 1.176 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.3 t -74.89 -30.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.641 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.43 -39.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HA ' ' ND2' ' A' ' 104' ' ' ASN . 0.0 OUTLIER 178.16 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -51.21 -94.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.062 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -34.3 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.548 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 4.1 m95 -144.12 159.64 42.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.533 ' ND2' ' OD2' ' A' ' 20' ' ' ASP . 8.2 m120 -106.91 95.88 13.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.792 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -12.9 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.792 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 32.91 41.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 33.6 mm-40 -119.69 155.37 32.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.81 126.27 55.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.72 HD23 ' HB3' ' A' ' 120' ' ' ASN . 6.2 mt -93.58 133.68 36.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.144 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 9.5 t90 -123.61 130.79 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.621 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.3 m -154.4 126.03 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -114.35 157.78 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.6 t90 -133.26 -54.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 13' ' ' THR . 4.4 mm-40 -58.63 -16.36 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.8 ' HB2' ' OD2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -116.29 1.17 13.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.3 51.31 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.747 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -130.61 146.94 52.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.553 ' CG2' ' HG3' ' A' ' 59' ' ' MET . 44.8 t -149.42 158.12 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 155.69 126.83 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.72 ' HB3' HD23 ' A' ' 109' ' ' LEU . 2.2 m120 -98.97 120.45 39.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.7 mt-10 153.76 151.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.98 -24.45 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 128' ' ' TYR . 95.3 m-20 -52.96 -50.59 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.684 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -50.83 -58.23 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 1.2 t70 -45.08 -53.63 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.51 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.563 ' CD2' HD22 ' A' ' 117' ' ' LEU . 9.6 m-30 -57.0 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.144 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -144.61 83.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -30.68 166.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.879 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -50.18 4.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.885 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -174.63 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' A' ' 129' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.51 0.195 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -163.31 145.01 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -160.48 172.22 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.418 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 29.0 p90 -80.73 -39.16 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -57.47 -46.3 83.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.43 ' OG1' ' CE ' ' A' ' 133' ' ' LYS . 14.5 m -99.33 160.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.927 HD21 ' HA ' ' A' ' 128' ' ' TYR . 2.7 pp 173.06 110.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 33.4 tt0 53.43 75.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 84.69 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -80.37 129.46 69.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 1.068 ' HB3' HD21 ' A' ' 117' ' ' LEU . 18.5 Cg_endo -74.95 125.02 9.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' N ' ' CG ' ' A' ' 115' ' ' ASN . 8.9 mtt-85 -102.63 -81.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.784 ' N ' HD21 ' A' ' 115' ' ' ASN . 15.6 m -82.64 120.5 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.63 HG13 ' CD2' ' A' ' 42' ' ' PHE . 1.5 mm -100.86 121.22 51.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -111.16 99.66 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.41 139.49 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 81.5 m-85 -111.84 150.66 30.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.612 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 1.8 m -97.27 136.0 38.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.8 m-80 -142.02 34.27 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.949 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 63.13 159.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.081 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.83 -74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -136.18 -130.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -39.07 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.699 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.7 m-20 -85.72 104.77 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.081 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -52.61 -39.03 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HD3' HG22 ' A' ' 25' ' ' ILE . 6.3 mmtp -81.31 -55.44 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.916 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -58.68 -65.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.029 ' HB3' HD13 ' A' ' 21' ' ' ILE . 10.1 tp-100 -44.45 -34.55 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 2.5 tptm -45.32 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.68 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.23 -43.32 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.916 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -38.49 -42.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 34.9 mm-40 -80.48 -43.31 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -52.71 -47.38 67.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -73.34 -20.43 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -66.11 1.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -63.17 -115.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 5.3 t0 -64.87 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 p -153.57 167.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.625 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 80.3 p -157.99 157.26 32.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 158.65 63.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -162.27 -53.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.036 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -93.78 168.17 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG12 ' A' ' 14' ' ' ILE . 1.6 m-20 -106.14 113.01 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.012 HG21 HD21 ' A' ' 34' ' ' LEU . 4.5 p -95.53 125.34 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.1 mm-40 -104.1 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.924 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -109.73 103.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.62 134.22 23.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 2.1 p30 -90.09 120.52 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -162.49 156.68 21.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.809 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.07 124.81 91.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.723 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.03 47.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.712 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -61.43 155.23 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.516 ' CZ3' ' CB ' ' A' ' 67' ' ' PRO . 57.2 m95 -55.08 -26.95 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -49.83 -59.47 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -44.12 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.015 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.63 -26.36 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.2 mt-30 -44.05 -31.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -71.73 -50.21 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -73.86 -30.76 62.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.47 -26.65 63.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.243 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.33 -45.19 16.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 p -66.44 -8.5 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -171.9 137.38 0.97 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.92 -21.62 15.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -94.3 7.32 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.705 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -64.45 -37.78 94.9 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -50.72 -28.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -56.55 -45.89 80.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.43 -54.46 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.49 -40.73 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.916 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.48 -18.8 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.21 -31.73 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.93 163.25 49.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.495 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.05 -42.9 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HB3' ' OG ' ' A' ' 79' ' ' SER . 3.6 mmtt -86.88 67.71 9.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 72' ' ' ARG . 4.0 tp -61.9 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 82' ' ' LYS . 9.6 p-10 -42.16 -28.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 51.1 m -73.82 -64.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.711 HG23 ' OG1' ' A' ' 86' ' ' THR . 12.5 p -79.63 -30.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.878 ' N ' ' O ' ' A' ' 77' ' ' LEU . 12.8 tp -60.57 -9.12 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -126.38 -100.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.4 t80 -144.24 -5.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.85 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.17 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.97 ' ND1' HD11 ' A' ' 102' ' ' LEU . 59.8 m-70 -27.71 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.965 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -47.59 -26.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.987 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -37.73 -158.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.987 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 19.67 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -82.53 -45.53 14.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.726 ' CD1' HD12 ' A' ' 94' ' ' LEU . 23.0 m-85 -106.38 -17.26 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.15 -163.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.956 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 18.4 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.675 ' H ' ' HG2' ' A' ' 92' ' ' MET . 12.7 m-20 -106.46 104.38 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.68 -34.4 52.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.762 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -44.36 -42.38 6.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -47.24 -34.67 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' LEU . 4.8 m -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' LEU . 19.3 t -73.11 -24.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.766 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -52.21 -10.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.766 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.0 OUTLIER 122.79 2.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.242 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.3 -111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.97 HD11 ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -30.79 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -149.82 154.67 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 107.973 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.559 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 17.0 m120 -82.99 106.32 6.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.812 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.4 Cg_endo -75.0 3.4 5.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.851 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 3.6 60.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.812 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.5 mm-40 -138.16 155.71 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.678 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -115.97 127.93 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.75 ' CD2' HD12 ' A' ' 70' ' ' LEU . 5.3 mt -105.97 124.23 49.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -124.98 122.13 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 m -145.19 130.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.68 ' HB2' HD12 ' A' ' 117' ' ' LEU . 11.7 m-20 -121.51 138.97 54.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.4 t90 -101.79 -65.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -5.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.95 ' N ' HD22 ' A' ' 115' ' ' ASN . 0.4 OUTLIER -103.33 -13.43 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 58.82 25.01 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.068 HD21 ' HB3' ' A' ' 11' ' ' PRO . 3.5 pp -133.49 142.04 48.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 110' ' ' TRP . 83.5 t -145.93 163.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 165.23 132.0 1.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 15.1 p-10 -85.19 172.67 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.557 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 86.63 147.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.622 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.07 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.557 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -63.69 -28.9 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.53 -45.17 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.96 -54.76 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -45.0 -51.78 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.541 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.15 -53.01 56.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 1.003 ' HB3' HD13 ' A' ' 129' ' ' ILE . 11.5 m-85 -82.27 -89.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.003 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.25 87.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.959 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.44 -157.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.959 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.1 mp0 -44.64 -16.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 1.036 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.466 0.174 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -123.57 135.24 53.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -156.3 160.93 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -83.92 -48.52 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HD2' HD11 ' A' ' 130' ' ' ILE . 2.7 mmtp -79.55 -26.46 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 6' ' ' THR . 8.8 t 33.65 93.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 128' ' ' TYR . 10.0 tp -152.39 -46.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 30.7 tt0 82.47 121.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 9.3 mtp180 60.03 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -86.18 135.95 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HA ' ' OD1' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 170.56 20.15 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 1.2 ttt85 -104.05 -56.07 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -93.2 114.73 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.061 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 12.3 mm -99.31 113.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -102.69 100.52 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -126.89 131.03 51.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.704 ' CD2' HD12 ' A' ' 109' ' ' LEU . 58.1 m-85 -98.0 158.19 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.013 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -109.74 145.21 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' HD21 ' A' ' 94' ' ' LEU . 3.4 t30 -134.23 51.02 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 1.024 ' HA ' HG23 ' A' ' 25' ' ' ILE . 10.7 t70 50.86 164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.152 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.66 -79.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . -146.34 -99.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -56.23 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.659 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -75.94 97.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.152 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.1 mm -39.62 -46.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.67 -61.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.841 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.37 -66.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.011 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -37.94 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.881 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.26 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.967 ' SG ' HG23 ' A' ' 46' ' ' ILE . 2.0 m -78.51 -56.84 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.841 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -33.75 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 38.8 mm-40 -77.31 -48.01 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.947 HD21 ' HB ' ' A' ' 125' ' ' ILE . 2.0 tp -57.51 -56.16 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.927 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -66.52 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -60.36 -14.48 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 131' ' ' GLN . 1.2 m-20 -102.53 -87.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -164.35 171.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.632 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 85.4 p -129.93 171.56 12.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 171.14 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.592 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.658 ' C ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -13.17 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.678 ' CD2' ' O ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -89.85 165.37 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.32 122.82 46.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.927 HG11 HD21 ' A' ' 34' ' ' LEU . 23.5 t -92.73 128.24 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.722 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -97.53 116.39 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.967 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.1 mp -106.83 105.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -143.23 138.83 29.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.55 ' HA ' ' H ' ' A' ' 18' ' ' THR . 6.3 p30 -101.26 123.25 45.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.703 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.74 162.82 38.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CD1' ' O ' ' A' ' 92' ' ' MET . 27.0 p90 -72.67 111.86 12.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.752 ' HG3' HD11 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 61.28 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' PHE . 38.7 p -80.92 167.24 20.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 5.7 p90 -59.44 -26.88 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -58.37 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -84.05 -52.27 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.019 HD22 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.53 -27.25 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 3.6 tp60 -36.29 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.3 m-85 -64.49 -54.79 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.481 ' SD ' ' CG2' ' A' ' 118' ' ' VAL . 3.4 mmt -78.51 -26.45 45.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 3.5 ttt180 -51.5 -34.04 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -46.48 9.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -62.92 -13.95 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.92 134.94 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.532 1.807 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' CA ' HG22 ' A' ' 68' ' ' VAL . 90.6 mt-30 -91.33 12.78 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.565 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.66 -47.25 92.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.68 ' HB3' HD21 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 1.9 m -48.99 -27.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -72.23 -35.0 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.019 HD12 HD22 ' A' ' 56' ' ' LEU . 6.2 mt -73.69 -58.51 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.2 pt20 -54.23 -36.68 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.927 ' HD2' HD13 ' A' ' 77' ' ' LEU . 1.1 mmm-85 -79.73 -17.8 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -67.73 -40.41 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.704 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.14 141.0 57.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.01 57.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -176.45 34.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.33 -62.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' N ' HD23 ' A' ' 81' ' ' LEU . 20.5 t70 -40.13 -27.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.567 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -86.64 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.93 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.8 p -80.39 -42.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.859 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.21 -6.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -125.47 -86.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.647 ' C ' HG22 ' A' ' 86' ' ' THR . 0.1 OUTLIER 179.36 5.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -53.12 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.611 ' O ' ' CG2' ' A' ' 89' ' ' THR . 13.8 m170 -37.25 -17.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.119 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.2 t -51.69 -16.33 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.162 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.0 OUTLIER -31.54 -145.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.162 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.01 25.68 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.4 t -88.57 -49.88 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.843 ' HE2' HD22 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.21 -22.69 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.39 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.841 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -14.98 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 111.009 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m-20 -119.94 98.54 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.017 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -85.41 -32.26 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.869 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -68.87 -57.77 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 100' ' ' ARG . 36.2 mmtt -44.48 -27.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.1 m -92.11 -39.05 11.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.672 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.1 t -76.14 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.733 ' CB ' HG21 ' A' ' 25' ' ' ILE . 7.2 mt-30 -51.64 -21.83 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 96' ' ' LYS . 1.3 tmt_? 177.6 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.598 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -178.08 -128.82 1.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.843 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -23.42 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.95 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 7.0 t90 -143.78 160.19 41.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 2.9 p-10 -93.56 94.08 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.95 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -75.03 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.774 ' HG3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -165.86 39.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 9.6 mt-10 -122.04 156.46 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.639 ' HB2' ' CD ' ' A' ' 29' ' ' LYS . . . -134.32 148.9 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -113.74 119.34 37.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.061 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 8.6 t90 -105.66 135.25 47.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 118' ' ' VAL . 18.1 m -157.86 127.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.614 ' CG ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.69 149.62 27.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.4 ' CD1' ' HD2' ' A' ' 58' ' ' TYR . 1.6 t90 -121.04 1.41 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.5 mm-40 -87.86 -45.2 10.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.614 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 3.7 m-20 -111.19 17.56 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 52.93 52.05 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 128' ' ' TYR . 1.7 mt -111.6 145.52 39.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 111' ' ' VAL . 53.5 t -150.58 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . -163.64 162.75 35.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' HB3' ' OG ' ' A' ' 69' ' ' SER . 3.3 p30 -118.91 160.44 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 2.7 mt-10 70.25 166.21 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.715 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -41.37 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.31 -28.19 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.633 ' OD1' ' CD1' ' A' ' 128' ' ' TYR . 2.7 t0 -59.58 -48.14 82.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.947 ' HB ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.22 -56.95 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.622 ' HA ' HG22 ' A' ' 130' ' ' ILE . 2.4 t0 -45.65 -56.69 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 16.0 mmtp -57.37 -55.65 32.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.985 ' HB3' HD13 ' A' ' 129' ' ' ILE . 2.9 m-85 -70.19 -84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.05 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -129.91 95.48 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.791 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.6 OUTLIER -39.95 -116.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.627 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.7 mp0 -106.66 -37.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.752 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.1 ptp85 -99.05 -26.13 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.764 ' HD2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.464 0.173 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -124.72 133.42 53.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.054 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 5.7 p90 -137.28 56.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -83.18 -48.77 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CB ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -85.3 -41.56 15.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 58.04 102.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -165.59 120.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -43.58 93.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 61.38 129.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 142.4 28.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.607 ' HA ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -75.02 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 8.0 mtt-85 -135.04 -45.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 1.149 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 7.1 m -109.3 117.79 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.121 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 3.3 mm -92.7 110.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -106.77 102.24 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -129.18 128.45 43.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.668 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 4.7 m-30 -97.17 154.12 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.983 HG21 ' HA ' ' A' ' 26' ' ' LYS . 37.1 m -101.82 150.98 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.807 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 m120 -146.72 54.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 1.083 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 44.72 154.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -153.78 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -154.87 -130.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.0 t -30.24 -92.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.688 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -82.44 98.28 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.083 HG23 ' HA ' ' A' ' 20' ' ' ASP . 5.9 mm -43.05 -41.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.983 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -84.13 -60.65 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.778 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -55.86 -66.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 50.4 tp60 -38.56 -34.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.877 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -52.19 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 34' ' ' LEU . 4.2 t -92.72 -51.72 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.778 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 3.4 mm? -33.34 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.4 mm100 -81.51 -41.06 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.994 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.0 -46.79 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -80.41 -11.65 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.1 tptt -47.91 -19.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -57.88 -95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.55 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 3.6 m-20 -101.24 -172.32 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -166.0 164.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 2.1 m 167.76 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -111.24 129.94 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 178.05 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.925 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -158.7 161.54 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -105.01 114.75 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.925 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 2.1 t -86.21 120.22 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.772 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -99.96 113.57 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.772 HD13 ' C ' ' A' ' 45' ' ' GLU . 1.8 mm -109.5 104.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.37 136.1 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.602 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 1.8 p30 -90.96 122.59 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.4 tpt180 -158.32 159.19 35.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.48 129.69 89.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.14 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -59.1 146.5 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.442 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.929 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.01 -24.97 66.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -56.98 8.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -39.1 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.011 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.32 -25.24 65.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.599 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -41.52 -30.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.04 -53.36 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -70.11 -28.37 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.64 -37.99 66.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -76.24 -37.53 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -95.95 38.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -178.72 133.59 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 63' ' ' CYS . 18.3 Cg_endo -75.03 -29.48 8.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.627 ' CA ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -88.27 -15.96 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 20.08 -106.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 -36.09 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.627 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -47.0 -37.42 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -73.74 -34.25 64.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.4 mt -73.24 -54.12 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.76 -32.68 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.6 mmt180 -79.48 -18.8 51.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.696 ' OE1' HD23 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -66.98 -36.43 82.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.583 HD13 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -82.86 159.52 62.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.99 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.03 56.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.81 -65.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.529 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 p-10 -40.42 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 84' ' ' LYS . 9.4 t -83.62 -61.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.044 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.684 HG23 ' OG1' ' A' ' 86' ' ' THR . 11.0 p -80.43 -43.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.47 -6.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -123.19 -104.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.7 t80 -146.35 -6.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.816 ' O ' ' N ' ' A' ' 86' ' ' THR . 6.4 tttt -57.02 -134.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.787 ' CD2' HD21 ' A' ' 102' ' ' LEU . 32.8 m170 -29.34 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.945 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.74 -26.76 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -39.36 -156.51 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.04 19.86 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.65 -41.74 16.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' A' ' 94' ' ' LEU . 1.2 m-85 -107.13 -20.75 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.5 -170.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.56 -97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.519 ' H ' ' CG ' ' A' ' 92' ' ' MET . 6.3 m-20 -96.19 103.09 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.75 -30.1 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.6 OUTLIER -50.89 -27.55 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.621 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 46.9 mmtt -62.5 -28.69 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.662 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -98.38 -49.94 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.707 ' CG2' HD11 ' A' ' 94' ' ' LEU . 80.7 t -58.77 -32.96 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -39.05 -25.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 4.1 ttt180 154.03 -19.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -65.14 -160.76 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER 34.94 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.758 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -143.45 157.94 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -93.97 100.01 4.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.95 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.666 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -179.02 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 23.3 mt-10 -135.94 142.52 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.66 129.65 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.35 116.33 32.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 1.121 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 3.9 t90 -104.42 128.83 52.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 HG13 ' A' ' 118' ' ' VAL . 4.1 m -150.69 142.15 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.663 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -123.88 145.34 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 1.149 ' CZ2' HG21 ' A' ' 13' ' ' THR . 16.8 p-90 -122.05 12.99 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.962 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.631 ' OE1' ' CE3' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -95.03 -39.05 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.607 ' ND2' ' HA ' ' A' ' 11' ' ' PRO . 0.7 OUTLIER -112.41 0.37 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.603 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 72.43 40.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.785 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -112.77 143.19 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 59' ' ' MET . 76.3 t -147.84 158.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 159.23 113.41 0.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.668 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.18 123.39 35.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 161.62 157.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.84 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.791 ' HB1' ' HE2' ' A' ' 127' ' ' LYS . . . -74.72 -23.67 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.698 ' HB3' ' CE2' ' A' ' 128' ' ' TYR . 5.5 m-20 -55.66 -49.57 72.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.73 HG12 ' CD1' ' A' ' 110' ' ' TRP . 1.5 mt -49.58 -59.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.776 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.2 t70 -53.49 -44.75 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.791 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -60.78 -59.95 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.756 ' HB2' HD13 ' A' ' 129' ' ' ILE . 5.0 m-30 -70.04 -70.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.018 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -144.04 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.829 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -50.58 -170.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.829 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -42.25 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.87 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -158.15 82.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.702 ' C ' HG22 ' A' ' 129' ' ' ILE . 13.6 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.661 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.4 Cg_endo -74.98 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -147.31 -53.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -91.38 114.95 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.036 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 19.7 mm -101.63 108.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 111' ' ' VAL . 14.9 m -95.25 107.02 19.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -109.19 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CB ' HD13 ' A' ' 109' ' ' LEU . 2.8 m-85 -102.24 156.29 17.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.674 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.4 m -103.87 143.73 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.763 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.0 m120 -152.4 57.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.948 ' HB2' HG13 ' A' ' 98' ' ' VAL . 11.5 t0 57.54 158.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.119 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -173.86 -93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HD12 ' A' ' 25' ' ' ILE . . . -132.18 -148.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -29.51 -84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -85.75 95.96 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.119 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -48.89 -32.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.65 -54.16 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.943 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -61.43 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.927 ' HB3' HD12 ' A' ' 21' ' ' ILE . 41.3 tp60 -44.86 -28.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 1.028 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.31 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.018 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.93 -56.74 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.359 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -32.88 -49.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.804 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.3 mm100 -73.63 -35.67 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -61.17 -50.17 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.929 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.93 -14.85 62.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.5 tmtt? -62.99 6.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.62 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -84.36 -107.67 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.537 ' C ' ' HG3' ' A' ' 131' ' ' GLN . 11.3 t0 -60.17 -144.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -92.99 170.42 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.631 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 15.6 m -123.18 125.25 44.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.631 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.8 m170 151.74 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.607 ' HG3' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER 77.29 -44.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 4.4 p90 -133.82 168.61 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.65 121.63 41.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.151 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 t -93.17 139.21 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.675 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -118.56 118.43 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.018 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.6 mp -111.46 109.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -137.45 141.86 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.674 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.6 p30 -110.95 116.72 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.632 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -168.36 166.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.669 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 7.7 t80 -74.46 129.83 83.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.659 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 61.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 9.2 p -58.9 145.02 42.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.685 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.93 -23.41 67.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.007 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -58.43 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -32.92 25.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.685 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -67.68 -21.42 65.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -38.06 -33.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 51.8 m-85 -75.1 -45.4 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -73.9 -31.74 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -52.55 -30.55 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -83.51 -46.6 12.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -84.31 49.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -174.27 144.29 0.95 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.4 Cg_endo -74.99 -36.46 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -94.3 -16.92 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . 38.84 -106.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.573 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 -38.5 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.758 HG12 ' HG3' ' A' ' 72' ' ' ARG . 5.2 t -48.14 -37.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -63.75 -36.55 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.643 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.1 mm? -74.09 -60.72 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.858 ' HG3' HD23 ' A' ' 81' ' ' LEU . 1.2 pm0 -54.8 -33.09 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.758 ' HG3' HG12 ' A' ' 68' ' ' VAL . 2.0 mmt180 -78.67 -20.8 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -41.47 81.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.533 HD11 HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -85.14 159.96 55.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -75.01 149.35 36.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 79' ' ' SER . 14.1 tttt 69.67 42.16 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.74 -61.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -40.19 -28.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -76.94 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.734 HG23 ' HB ' ' A' ' 86' ' ' THR . 4.9 p -78.43 -32.83 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD23 ' HG3' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -58.21 -10.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.549 ' HD3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -118.81 -101.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.674 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -139.65 1.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.715 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -62.05 -139.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.917 ' CG ' HD11 ' A' ' 102' ' ' LEU . 49.3 m170 -27.46 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.923 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.3 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.973 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -39.06 -157.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.973 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.01 19.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -90.9 -43.0 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 97' ' ' CYS . 1.5 m-85 -107.39 -24.24 11.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.669 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -37.35 -104.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -27.52 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.677 ' H ' ' HG2' ' A' ' 92' ' ' MET . 80.4 m-20 -103.76 104.44 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.61 -21.83 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 1.075 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.92 -27.91 67.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.619 ' C ' ' HG2' ' A' ' 99' ' ' GLN . 18.2 mmtp -65.18 -27.62 68.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 4.9 m -99.71 -47.87 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 20' ' ' ASP . 1.4 t -65.21 -28.04 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.665 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.64 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.637 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 156.31 -17.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.68 -134.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.917 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 0.38 -77.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.702 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -140.94 159.79 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 47.4 p-10 -106.85 84.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.702 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -74.99 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -152.09 47.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.511 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.0 mm-40 -113.3 146.25 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.593 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . . . -112.54 125.51 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.27 117.21 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.056 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.1 t-105 -114.29 120.07 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HG13 ' A' ' 118' ' ' VAL . 13.1 m -131.21 134.87 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.815 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.9 t0 -108.92 128.0 54.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.407 ' HZ2' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -107.68 5.25 26.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -93.8 -44.74 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 1.3 t30 -112.97 -3.42 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.625 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 71.6 38.75 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.854 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -108.68 117.72 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.047 HG13 HG12 ' A' ' 111' ' ' VAL . 40.9 t -126.99 155.7 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.426 ' O ' ' OD2' ' A' ' 124' ' ' ASP . . . -174.15 114.18 0.49 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 1.7 m-80 -69.66 90.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.52 ' CB ' ' OD2' ' A' ' 124' ' ' ASP . 0.3 OUTLIER 168.06 148.1 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.97 -23.31 13.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.64 58.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.52 ' OD2' ' CB ' ' A' ' 121' ' ' GLU . 47.6 m-20 -54.3 -32.93 57.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.681 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -72.99 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.974 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -48.93 -44.36 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.21 -52.57 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.854 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.93 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.056 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.47 94.07 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.002 HD13 ' N ' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -61.52 -164.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.861 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -50.65 -17.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.668 ' CD ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -151.06 24.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 1.002 ' N ' HD13 ' A' ' 130' ' ' ILE . 37.2 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.538 ' CB ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 pp0? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.96 163.34 35.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -110.53 -56.32 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 40.1 m -91.31 112.8 24.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mm -100.48 112.44 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.682 ' HB3' HG12 ' A' ' 111' ' ' VAL . 13.2 t -98.82 104.61 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.939 HD11 HD11 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -111.52 149.06 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.657 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -116.76 159.36 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 25' ' ' ILE . 2.5 m -102.0 143.85 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.705 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.8 m120 -155.92 62.11 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.622 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 5.2 t70 56.05 160.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.217 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.15 -88.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . . . -139.11 -132.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.579 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 2.8 m120 -85.59 100.32 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.217 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -50.57 -34.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.768 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.86 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.783 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.54 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.084 ' HB3' HD12 ' A' ' 21' ' ' ILE . 8.1 tp-100 -42.39 -33.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.966 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -47.88 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.77 ' SG ' HD22 ' A' ' 16' ' ' LEU . 79.2 m -96.71 -49.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.783 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -34.42 -44.92 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.702 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 34.3 mm-40 -80.31 -44.05 20.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -52.23 -43.38 64.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.028 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -82.57 -18.26 42.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.83 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.53 -54.31 23.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 35.5 m-20 -169.36 93.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG22 ' H ' ' A' ' 39' ' ' SER . 1.9 p -83.16 -176.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.667 ' H ' HG22 ' A' ' 38' ' ' VAL . 61.4 m -168.68 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 162.05 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.568 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -128.96 -17.08 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -156.88 167.98 28.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.49 126.16 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.028 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.5 t -97.6 140.12 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -120.86 116.53 25.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.869 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -109.55 113.9 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -136.53 143.51 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.563 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 1.9 p30 -111.74 114.87 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.712 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -171.48 163.39 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.09 117.01 44.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.862 ' C ' HD21 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.06 60.64 5.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.697 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -73.56 143.03 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.2 p90 -51.31 -21.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' THR . 34.7 t0 -42.54 -54.72 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.38 -59.36 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.862 HD21 ' C ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -52.67 -20.59 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.706 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -35.9 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.1 m-85 -67.25 -56.08 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.649 ' HE2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -77.04 -36.21 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -53.79 -24.66 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.87 -44.17 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.78 7.31 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -143.82 138.21 14.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.85 4.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -84.69 14.65 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . -29.3 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -31.54 6.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.561 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 2.4 t -49.17 -31.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -78.48 -38.67 40.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 56' ' ' LEU . 3.1 mm? -73.11 -57.82 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 68' ' ' VAL . 14.1 pt20 -51.91 -45.04 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -70.08 -20.89 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.08 -38.15 78.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 1.074 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -84.83 164.74 40.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 163.13 35.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 51.66 70.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.882 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.75 -61.91 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.598 ' N ' HD23 ' A' ' 81' ' ' LEU . 21.5 t70 -41.95 -25.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.625 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.28 -61.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.074 HG11 HG22 ' A' ' 74' ' ' ILE . 13.8 p -79.93 -37.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.882 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.26 1.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 80' ' ' VAL . 1.8 tmtp? -127.53 -98.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.6 m-85 -148.05 -6.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 ttpp -59.33 -133.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.766 ' O ' HG22 ' A' ' 89' ' ' THR . 12.6 m-70 -31.15 -24.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.915 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -49.84 -30.78 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.971 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.29 -159.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.971 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.94 25.57 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.424 1.749 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -91.99 -43.12 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' HG ' ' A' ' 102' ' ' LEU . 1.7 m-85 -107.63 -28.83 9.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.628 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.79 -124.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.802 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -12.6 -61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.589 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 10.7 p-10 -117.84 99.89 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.018 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 -53.02 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.963 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.01 -25.67 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.595 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 5.5 mmmm -69.67 -27.13 64.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -98.43 -39.33 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 108.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 74' ' ' ILE . 2.3 t -78.87 -24.43 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -34.22 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 98' ' ' VAL . 12.4 ptm180 173.47 -31.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -64.39 -150.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.653 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 30.34 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.659 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -147.94 158.09 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -99.3 99.69 8.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.699 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -75.03 -17.94 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.821 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 30.5 34.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 105' ' ' PRO . 6.6 mt-10 -103.65 157.59 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.521 ' HB3' ' CA ' ' A' ' 122' ' ' PRO . . . -112.11 129.34 56.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.1 mm? -90.78 116.73 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.047 ' CZ3' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -109.55 122.37 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 107.989 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.03 HG22 HG12 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -148.24 133.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.73 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -125.86 132.83 52.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.69 7.52 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.4 tm-20 -91.28 -46.09 8.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -112.68 17.22 19.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 5.8 ptpt 52.81 41.55 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.614 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -110.32 146.22 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.03 HG12 HG22 ' A' ' 111' ' ' VAL . 21.3 m -150.83 165.02 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.537 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 167.59 144.04 4.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 20.8 p-10 -92.95 174.36 7.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.4 OUTLIER 77.46 148.95 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.521 ' CA ' ' HB3' ' A' ' 108' ' ' ALA . 18.4 Cg_endo -75.05 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.51 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -56.42 -29.08 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -56.94 -48.46 78.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -47.0 -55.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.81 ' HA ' HG22 ' A' ' 130' ' ' ILE . 1.2 t0 -47.3 -53.02 14.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.55 -47.69 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.847 ' HB3' HD13 ' A' ' 129' ' ' ILE . 82.7 m-85 -87.04 -85.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.047 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.77 92.09 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.81 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.6 pp -48.95 -161.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.663 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.98 -56.7 11.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.693 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -110.08 16.14 22.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.636 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 133' ' ' LYS . 7.8 pm0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.03 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 8.6 ttt85 -142.76 -40.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 97.1 m -120.42 116.62 25.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.754 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 5.0 mm -104.16 124.86 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -95.83 100.89 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD21 ' HE2' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -112.39 119.44 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.796 ' N ' HD13 ' A' ' 16' ' ' LEU . 1.4 m-30 -98.47 156.07 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -99.37 139.11 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.662 ' HB2' HD21 ' A' ' 109' ' ' LEU . 1.1 t30 -139.12 40.7 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.924 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.8 t0 54.8 144.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.843 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -150.81 -65.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -143.75 -144.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -30.08 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.3 m120 -84.72 100.84 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.924 HG23 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mp -49.27 -41.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.813 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -81.85 -57.88 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.804 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.07 -65.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.791 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 52.2 tp60 -42.39 -35.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.827 ' HE2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.16 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.6 t -95.39 -54.53 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -31.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.791 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.4 mm100 -77.48 -46.31 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 3.2 tp -51.77 -52.07 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.008 HD21 HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -62.39 -29.92 70.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -65.94 -0.12 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -85.94 -86.48 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 t70 -68.87 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' ASP . 2.0 t -157.87 146.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 153.67 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 14.6 t60 -179.34 161.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 1.4 ptp180 157.32 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.001 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -135.8 172.11 13.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.627 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.52 128.0 44.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.008 HG11 HD21 ' A' ' 34' ' ' LEU . 39.4 t -89.59 135.79 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.6 mm-40 -108.21 109.21 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.918 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.33 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.43 133.02 22.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.527 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 0.9 OUTLIER -86.73 122.62 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.54 ' O ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.65 157.51 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.78 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.4 128.0 92.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 50.57 2.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.674 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.51 150.85 34.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.458 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 57' ' ' GLN . 1.7 p-90 -67.32 -24.96 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -60.42 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.82 -39.51 13.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.99 -23.67 65.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 17.7 tp60 -42.29 -43.21 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -55.47 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.584 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 2.9 mmm -69.9 -30.8 68.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -55.88 -37.0 68.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.48 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -99.66 69.43 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.693 ' SG ' HG12 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 171.05 146.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.51 2.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -96.22 -4.34 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 18.09 -102.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 65' ' ' GLN . 3.7 p -42.71 -27.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.573 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -62.63 -48.57 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 70' ' ' LEU . 1.6 mm? -73.29 -52.15 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -47.96 -41.97 26.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.691 ' HA ' HD21 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -81.04 -18.5 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' CB ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -69.48 -43.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -79.96 164.35 53.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -74.98 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.1 OUTLIER 29.79 49.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.793 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -41.83 -64.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 14.0 t0 -41.13 -25.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.2 t -75.48 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.931 HG23 ' OG1' ' A' ' 86' ' ' THR . 5.5 p -80.2 -32.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.926 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -61.31 -7.59 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -131.97 -96.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.625 ' C ' HG22 ' A' ' 86' ' ' THR . 72.8 t80 -166.11 9.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.721 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.3 ttpp -56.95 -149.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.596 ' O ' ' CG2' ' A' ' 89' ' ' THR . 0.1 OUTLIER -35.05 -22.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.107 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.9 t -54.46 -14.79 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.218 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.1 t0 -32.21 -142.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.218 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 20.62 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.2 t -81.29 -48.04 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 94' ' ' LEU . 5.7 m-85 -101.95 -18.8 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -48.13 -167.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.969 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 21.83 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.673 ' H ' ' HG2' ' A' ' 92' ' ' MET . 20.2 m-20 -105.14 101.85 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.74 -23.3 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.7 OUTLIER -53.69 -28.39 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.668 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 2.7 mmtp -62.13 -30.92 71.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.695 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 20.5 m -96.34 -49.17 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 94' ' ' LEU . 63.2 t -58.1 -33.96 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.692 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -42.19 -21.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.4 tmt_? 140.09 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.92 -116.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -15.98 -82.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.838 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -146.67 152.13 38.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.0 p-10 -90.0 99.89 2.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.838 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.631 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -145.0 43.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.574 ' CB ' ' HG3' ' A' ' 73' ' ' GLN . 5.4 mm-40 -128.88 156.15 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -117.31 142.7 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -110.96 112.16 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.634 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -111.53 134.19 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 15.3 m -157.51 128.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 117' ' ' LEU . 27.8 t70 -111.47 146.84 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.1 t90 -122.75 6.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.541 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -89.36 -47.31 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.616 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -115.74 21.96 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 11.2 ptpt 53.6 54.49 9.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.37 138.23 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.693 HG12 ' SG ' ' A' ' 63' ' ' CYS . 71.4 t -149.5 144.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 175.43 143.27 4.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -93.51 173.59 7.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.67 144.3 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.9 -26.43 68.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.634 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -56.49 -47.46 79.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -45.0 -52.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.855 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -50.97 -49.72 59.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -55.58 -57.9 10.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.904 ' HB3' HD13 ' A' ' 129' ' ' ILE . 69.9 m-85 -74.83 -83.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.92 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -128.78 91.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.855 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -53.22 -155.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.897 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.5 pt20 -53.61 -3.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.758 ' NE ' HD13 ' A' ' 130' ' ' ILE . 3.3 ppt_? -126.8 -169.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.92 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.711 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.95 149.2 36.57 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -125.58 -45.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -121.98 119.55 31.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.865 HD13 HD21 ' A' ' 115' ' ' ASN . 3.8 mm -96.05 105.98 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -104.46 104.23 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.852 HD22 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -120.08 140.57 50.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.825 ' HB2' HD23 ' A' ' 109' ' ' LEU . 2.5 m-30 -105.86 163.53 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.786 HG23 ' HD3' ' A' ' 29' ' ' LYS . 4.2 m -100.12 141.58 32.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.664 ' C ' HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -147.87 35.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.96 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 t0 58.32 151.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.812 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -145.27 -79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -136.82 -134.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -34.31 -65.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 4.6 m-20 -101.77 140.75 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.96 HG23 ' HA ' ' A' ' 20' ' ' ASP . 2.4 mm -80.65 -46.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 1.8 ptpt -86.29 -48.79 8.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.74 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -54.3 -56.9 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.79 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 46.8 tp60 -59.36 -46.02 89.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.985 ' CE ' HG23 ' A' ' 46' ' ' ILE . 31.5 ttpt -33.05 -96.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.852 ' SG ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -98.2 -41.03 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.298 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.74 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -37.95 -43.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 77.9 mm-40 -85.76 -34.17 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.94 -48.27 79.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.114 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -90.28 -7.25 53.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptp -49.13 -37.49 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.668 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -49.01 -95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 2.5 m-20 -87.29 165.12 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.631 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 178.62 143.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 4.1 p 148.46 132.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.5 m170 33.58 -132.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.593 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 10.6 mpt_? 63.44 -146.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -83.88 172.29 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.76 121.1 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.114 HG11 ' CD2' ' A' ' 34' ' ' LEU . 10.6 t -89.99 139.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -110.29 114.97 28.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.985 HG23 ' CE ' ' A' ' 29' ' ' LYS . 2.2 mp -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -139.5 141.25 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.598 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 11.1 p30 -100.92 119.89 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.629 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -169.25 158.61 8.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CA ' HD12 ' A' ' 94' ' ' LEU . 14.0 t80 -80.19 137.29 52.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.929 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.97 59.78 5.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 7.2 p -56.31 131.4 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.788 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.9 t-105 -51.39 -24.86 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -86.55 -31.13 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.961 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -59.34 -25.9 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.607 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -41.36 -34.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 42.1 m-85 -74.97 -44.44 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.546 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -71.15 -31.99 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -55.81 -43.43 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -46.8 72.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.25 46.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.497 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 13.1 t -178.38 134.7 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.2 Cg_endo -75.05 -32.39 5.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.694 ' CA ' HG22 ' A' ' 68' ' ' VAL . 31.2 mt-30 -94.99 -21.23 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 27.48 -100.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.973 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -47.09 -25.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -79.27 -41.1 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -78.61 -55.6 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.544 ' NE2' HD13 ' A' ' 81' ' ' LEU . 11.6 pt20 -53.22 -47.44 68.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.929 ' HD2' HD13 ' A' ' 77' ' ' LEU . 11.2 mmm-85 -72.73 -23.24 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.542 ' OE1' HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -63.14 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.766 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -86.76 138.53 33.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.0 54.38 3.62 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 79' ' ' SER . 0.0 OUTLIER -173.95 30.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.929 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -45.32 -62.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 81' ' ' LEU . 9.3 t0 -38.84 -31.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.576 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 38.6 m -84.76 -58.9 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.2 p -77.89 -52.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.784 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.87 -25.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 19.0 mmmt -99.0 -106.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -143.1 -6.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.35 -133.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.739 ' O ' HG22 ' A' ' 89' ' ' THR . 37.5 m-70 -26.92 -28.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.936 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.72 -29.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.942 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER -39.53 -157.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 21.74 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.42 -47.42 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 102' ' ' LEU . 2.1 m-85 -108.97 -25.15 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 50' ' ' PHE . . . -35.7 -101.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.748 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -29.95 -101.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.644 ' H ' ' HG2' ' A' ' 92' ' ' MET . 3.9 m-20 -103.18 105.43 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.898 HD13 ' H ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.66 -39.52 61.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.898 ' H ' HD13 ' A' ' 94' ' ' LEU . 1.4 tt0 -49.52 -29.95 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.64 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 13.0 mmtp -65.69 -28.2 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.9 m -97.8 -48.0 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.87 HG13 ' HD2' ' A' ' 105' ' ' PRO . 2.3 t -64.21 -30.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -38.85 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' VAL . 13.7 ttt-85 174.52 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -66.76 -167.87 2.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 36.33 -95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.289 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -147.26 153.21 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.441 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 19.0 p-10 -98.69 105.47 30.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.87 ' HD2' HG13 ' A' ' 98' ' ' VAL . 18.3 Cg_endo -75.0 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.804 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 27.38 44.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 38.5 mm-40 -131.16 152.13 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.94 131.31 56.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.969 ' H ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -94.54 112.68 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.025 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -112.75 110.27 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.995 HG12 HG13 ' A' ' 118' ' ' VAL . 20.2 m -127.7 135.53 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.816 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -110.25 138.05 47.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.475 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -104.44 -83.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.52 -9.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.865 HD21 HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -97.67 -2.03 42.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 46.07 35.76 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.824 HD13 ' CE2' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -136.56 151.16 49.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 111' ' ' VAL . 13.4 t -152.3 164.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 118' ' ' VAL . . . 171.45 110.45 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.746 ' ND2' HD12 ' A' ' 109' ' ' LEU . 5.2 t-20 -74.2 98.97 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.1 mt-10 157.62 154.11 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.708 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.06 -22.82 14.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.435 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -75.74 -31.41 59.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.616 ' CG ' ' CD1' ' A' ' 110' ' ' TRP . 10.6 t0 -52.25 -33.0 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -68.54 -56.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.829 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -56.6 -51.73 67.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -46.54 -51.01 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.824 ' CE2' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -92.51 -92.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.025 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -101.91 89.84 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.7 pp -45.56 -164.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.668 ' OE1' ' N ' ' A' ' 36' ' ' GLY . 12.8 mt-30 -51.17 -54.07 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.676 ' N ' HD12 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -125.88 90.27 3.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.68 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 133' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HA ' ' CB ' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.97 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.54 -72.33 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.691 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 7.7 m -92.18 118.42 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.167 HG23 ' CH2' ' A' ' 110' ' ' TRP . 8.7 mm -95.69 112.65 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.13 98.75 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.934 HD22 ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -107.03 131.24 54.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.4 m-30 -103.8 150.21 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.699 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -103.75 138.29 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.3 t-20 -136.02 39.86 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.906 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 56.65 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.085 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.94 -83.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -130.89 -124.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -40.21 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.757 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m-20 -82.41 102.71 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.085 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -42.34 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.68 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.869 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.77 -69.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.034 ' HB3' HD13 ' A' ' 21' ' ' ILE . 57.1 tp60 -41.15 -32.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.937 ' NZ ' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.14 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 46' ' ' ILE . 4.2 m -94.13 -45.42 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.869 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -35.96 -40.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.642 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 25.7 mm-40 -82.01 -43.25 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.99 -43.07 73.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.157 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.94 -18.06 48.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.3 tttm -58.8 -11.84 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.49 93.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 14.1 m-20 -151.36 -170.79 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -157.86 164.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.525 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.3 OUTLIER 169.97 -162.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 119.7 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -179.32 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -150.23 161.88 41.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 1.9 m-20 -113.18 125.28 54.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.157 HG11 HD21 ' A' ' 34' ' ' LEU . 2.9 t -94.78 133.91 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.06 116.69 32.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.885 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -109.43 105.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.35 135.1 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 6.4 p30 -95.48 119.79 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 155.18 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.758 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.88 123.94 89.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.653 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.95 58.05 4.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.638 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -63.5 159.28 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.632 ' CZ3' ' HB2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -67.8 -25.91 65.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 108.01 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.5 -59.06 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.3 mt-30 -81.94 -43.02 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.025 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.68 -24.13 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -44.48 -31.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 24.1 m-85 -73.16 -55.95 5.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.842 ' HG2' HG11 ' A' ' 118' ' ' VAL . 0.7 OUTLIER -68.34 -29.91 68.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.493 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -51.11 -33.14 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.28 -43.93 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -56.32 -33.7 65.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.9 m -147.67 149.48 33.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.22 12.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.782 ' HA ' HG22 ' A' ' 68' ' ' VAL . 1.1 mp0 -81.18 10.12 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.594 ' HA3' HD21 ' A' ' 56' ' ' LEU . . . -33.61 -90.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.047 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.04 -43.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.782 HG22 ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -43.53 -33.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 70.2 p -78.71 -37.69 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.066 HD23 HD22 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -73.02 -56.95 4.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 2.0 mm100 -54.26 -43.28 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 1.025 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -74.33 -16.08 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 69' ' ' SER . 6.7 tp-100 -66.93 -40.5 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.9 140.77 54.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.01 70.02 5.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG3' ' CE3' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 167.21 37.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.025 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -48.27 -61.08 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 10.5 t0 -39.31 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.593 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 52.3 m -87.14 -59.13 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.698 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 14.7 p -78.23 -47.67 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.64 -12.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -116.24 -103.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' ' O ' ' A' ' 84' ' ' LYS . 5.9 m-85 -152.18 -0.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.78 ' O ' ' N ' ' A' ' 86' ' ' THR . 5.5 tttt -54.32 -138.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -34.76 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.074 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -47.35 -24.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.074 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -33.18 -156.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.006 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 22.08 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -78.66 -46.45 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 1.185 ' CD1' HD12 ' A' ' 94' ' ' LEU . 11.9 m-85 -107.69 -18.56 13.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.88 -171.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.94 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.77 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.636 ' H ' ' HG2' ' A' ' 92' ' ' MET . 54.2 m-20 -102.97 101.82 11.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.185 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -75.38 -32.81 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.94 ' HA ' HG22 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -52.31 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.659 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.3 mmmm -70.46 -21.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.814 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -95.13 -44.54 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 95' ' ' GLN . 1.6 m -73.26 -28.54 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.719 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -36.52 -37.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.719 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 2.4 tpt180 160.62 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -135.97 -168.39 11.51 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 39.08 -121.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.64 156.02 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.496 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 5.5 m120 -78.45 109.49 10.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.62 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.97 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 36.19 30.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 22.6 mm-40 -116.03 152.91 32.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.937 ' HB2' ' NZ ' ' A' ' 29' ' ' LYS . . . -114.73 142.1 46.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.066 HD22 HD23 ' A' ' 70' ' ' LEU . 14.3 mt -114.57 117.95 32.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.167 ' CH2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -109.79 115.81 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 107.989 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.663 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 3.9 m -142.28 132.19 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.96 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -111.81 151.63 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.418 ' HE1' ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -111.92 -78.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.24 -11.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.744 ' ND2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -106.91 -13.03 15.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.2 ptmt 46.6 53.92 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.96 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 0.2 OUTLIER -145.78 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.842 HG11 ' HG2' ' A' ' 59' ' ' MET . 2.1 m -130.79 152.79 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . -166.54 117.24 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.1 160.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.45 152.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.568 ' CB ' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.02 -40.46 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.82 -28.06 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.459 ' OD1' ' CE2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -55.84 -42.83 76.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.727 HG13 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.04 -56.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.836 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.45 -55.92 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -50.38 -51.05 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.813 ' HB3' HD13 ' A' ' 129' ' ' ILE . 13.3 m-30 -81.78 -84.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.865 ' CD1' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -119.62 96.24 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 126' ' ' ASP . 1.7 pp -52.13 -152.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -76.24 3.83 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.811 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -179.61 81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.812 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.524 ' CB ' ' OD2' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -75.04 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.609 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.19 -43.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 20.4 m -106.61 113.12 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.027 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 7.2 mm -96.93 110.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.54 ' HB3' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -94.0 97.78 10.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -106.83 125.07 50.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.761 ' N ' HD13 ' A' ' 16' ' ' LEU . 11.2 m-30 -99.11 152.44 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.746 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -104.73 135.68 45.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.728 ' H ' ' CE ' ' A' ' 29' ' ' LYS . 2.7 m120 -139.44 41.09 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.635 ' HA ' HG23 ' A' ' 25' ' ' ILE . 13.8 t70 71.25 160.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.151 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -164.26 -82.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . . . -151.46 -114.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m120 -96.95 96.0 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.151 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -48.41 -40.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -82.99 -58.61 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.747 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -54.57 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -39.95 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.83 ' HD2' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.84 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -91.94 -54.27 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.8 mm? -32.91 -42.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.843 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -81.13 -43.79 18.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.4 tp -54.06 -46.71 72.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.923 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -76.38 -18.52 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.8 tttt -57.98 -2.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -77.2 -62.07 2.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.55 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 74.2 m-20 -153.26 47.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.73 149.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . 7.4 m -137.23 -150.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -145.55 65.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -133.75 -1.34 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.983 ' CE2' HG22 ' A' ' 44' ' ' VAL . 1.4 p90 -158.61 163.04 37.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.83 119.04 38.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.983 HG22 ' CE2' ' A' ' 42' ' ' PHE . 24.0 t -92.98 134.91 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.685 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -118.13 115.22 24.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.83 104.49 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.54 138.31 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 9.3 p30 -92.85 118.47 31.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.13 158.15 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 8.4 t80 -87.36 140.37 32.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 1.019 ' HB2' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 60.12 5.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 54' ' ' ASP . 66.4 p -57.77 141.47 48.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.902 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -46.03 -26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -58.74 -60.63 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -83.35 -52.87 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.902 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -47.95 -24.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.594 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -44.47 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -76.09 -53.8 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.685 ' CE ' HG23 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -70.47 -26.22 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.28 -32.74 50.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -89.11 -44.27 10.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 m -54.62 -64.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 146.05 36.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.8 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.7 mt-30 -84.93 -18.97 32.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.94 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.2 t -44.44 -36.57 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 65' ' ' GLN . 3.6 m -76.3 -40.94 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.019 HD23 ' HB2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -72.48 -58.69 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -50.53 -35.3 28.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 7.5 mmt180 -78.8 -17.96 54.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.725 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.78 -39.46 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.83 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -63.46 173.36 1.26 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.83 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.95 -38.41 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.728 ' H ' HG23 ' A' ' 74' ' ' ILE . 12.6 mmtt -111.39 91.51 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.911 ' N ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.07 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.593 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.8 p-10 -44.56 -25.37 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -82.68 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.754 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.9 p -74.69 -40.36 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.899 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.2 -16.6 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -108.49 -104.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.712 ' C ' HG23 ' A' ' 86' ' ' THR . 1.1 t80 -141.19 3.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.691 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.53 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 1.089 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.8 m-70 -30.4 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.959 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -44.46 -30.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.991 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -37.98 -159.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 21.01 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.851 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -85.46 -41.61 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.75 ' O ' ' O ' ' A' ' 91' ' ' GLY . 14.8 m-85 -103.87 -21.45 13.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.75 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.91 -149.94 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.777 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 1.55 -69.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.698 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.5 m-20 -110.35 105.22 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -90.14 -51.83 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -48.79 -31.08 6.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -59.94 -25.4 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 27.8 t -102.85 -48.13 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 94' ' ' LEU . 2.6 t -72.92 -18.4 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.3 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 164.2 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.01 -150.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.089 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 23.92 -96.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.67 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -142.04 152.32 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.955 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.85 102.41 13.37 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.843 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 25.3 45.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 105' ' ' PRO . 7.3 mt-10 -121.92 151.61 40.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.83 ' HB2' ' HD2' ' A' ' 29' ' ' LYS . . . -109.66 137.77 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 73' ' ' GLN . 5.1 mt -109.48 117.49 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.051 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 2.0 t-105 -107.0 120.44 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.711 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -143.38 132.49 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.79 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.7 t0 -115.45 141.93 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.607 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 17.2 t90 -117.77 1.63 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.609 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.6 mm-40 -88.73 -46.37 9.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 9.2 m-20 -113.69 16.8 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 4.3 pttt 51.05 40.23 25.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -112.95 121.15 43.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.7 HG13 HG12 ' A' ' 111' ' ' VAL . 91.0 t -136.72 166.43 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 118' ' ' VAL . . . 172.88 125.59 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 p-10 -62.88 163.37 9.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 80.36 150.24 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.614 ' HB3' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.0 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -53.64 -24.85 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' HA3' ' A' ' 119' ' ' GLY . 3.0 t70 -52.85 -49.9 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.53 -53.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.954 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -45.79 -50.0 14.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -52.89 -48.52 67.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.981 ' CD1' HD13 ' A' ' 117' ' ' LEU . 78.1 m-85 -86.74 -84.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.051 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -121.48 90.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.954 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.1 OUTLIER -56.71 -159.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.843 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.38 -19.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.589 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -122.2 152.46 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -74.97 148.71 35.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 2.6 ttt85 -93.02 -51.41 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 m -91.15 114.4 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.733 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.9 mm -106.15 113.5 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -99.71 102.86 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -106.8 131.14 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' C ' ' HZ2' ' A' ' 29' ' ' LYS . 53.8 m-85 -102.73 150.11 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -103.56 140.85 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.589 ' OD1' HD21 ' A' ' 94' ' ' LEU . 5.2 m-80 -145.97 64.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.66 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 15.3 t70 56.15 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.187 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.24 -90.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -135.54 -143.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 22' ' ' ALA . 7.0 t -33.55 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.675 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-20 -90.12 96.29 10.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.187 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -33.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.05 -56.63 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.68 -66.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.008 ' HB3' HD12 ' A' ' 21' ' ' ILE . 40.9 tp60 -41.41 -31.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.962 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.87 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.8 t -92.38 -50.22 5.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -33.73 -40.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.721 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.9 mm100 -80.83 -42.44 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -56.9 -41.8 78.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.788 HD23 ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -81.6 -16.6 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptm -61.08 -7.24 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -165.93 112.43 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.586 ' OD1' HG21 ' A' ' 130' ' ' ILE . 4.0 t0 174.7 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 130' ' ' ILE . 2.0 t -153.1 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -101.79 -147.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.532 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -131.96 148.77 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.576 ' CG ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -152.33 -43.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.69 ' CD1' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -111.15 177.46 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.47 119.06 33.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 HD11 ' A' ' 46' ' ' ILE . 72.9 t -89.54 139.15 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.6 113.57 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.853 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -118.06 100.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.56 140.89 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 1.3 p30 -100.15 116.99 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' CA ' ' OE1' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -166.33 155.8 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.681 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.86 110.39 5.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.73 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.98 58.77 4.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.535 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.78 165.2 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.584 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -69.28 -22.88 63.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.35 -57.5 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.72 -52.76 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -55.2 -19.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.584 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 tp60 -36.37 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' LEU . 33.8 m-85 -71.03 -51.25 26.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.7 mmt -74.32 -38.26 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -53.33 -22.86 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -43.28 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -20.07 62.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -132.75 132.66 22.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.91 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.698 ' HA ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-30 -96.41 14.61 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -56.61 -52.83 47.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.703 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.98 -51.76 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' A' ' 65' ' ' GLN . 4.2 p -48.49 -30.81 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 1.3 t -69.04 -33.3 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 56' ' ' LEU . 3.5 mt -75.63 -55.51 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.646 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.2 pt20 -59.77 -38.54 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.913 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -82.43 -16.91 47.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -65.23 -41.84 94.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -78.44 140.47 60.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.517 ' HG3' ' HA ' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -74.98 69.47 5.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 102' ' ' LEU . 1.3 tttt 170.79 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -46.01 -62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 1.8 t70 -43.92 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -85.3 -61.95 1.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.011 HG23 ' OG1' ' A' ' 86' ' ' THR . 9.2 p -83.85 -43.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.801 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.97 -5.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -125.25 -97.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.588 ' C ' HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -168.81 6.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.9 ttpp -53.43 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.617 ' O ' ' CG2' ' A' ' 89' ' ' THR . 22.5 m170 -36.21 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.161 ' O ' ' O ' ' A' ' 87' ' ' ASP . 4.3 t -52.52 -17.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.161 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -29.2 -146.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.158 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.05 21.38 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.7 t -78.88 -50.93 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.883 ' HD1' HD12 ' A' ' 94' ' ' LEU . 45.2 m-85 -97.4 -20.31 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.796 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -44.65 -138.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.749 ' HE3' ' CA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -20.46 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.608 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.1 m-20 -115.94 101.53 8.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.989 HD23 ' OE1' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -88.05 -51.11 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.989 ' OE1' HD23 ' A' ' 94' ' ' LEU . 3.1 mm100 -54.38 -29.96 50.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 7.7 mmmm -65.56 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.807 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 32.2 t -98.34 -53.05 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -75.45 -12.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.763 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.45 -25.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 98' ' ' VAL . 8.6 ttt180 156.32 -13.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -75.92 -150.51 3.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 29.78 -96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -141.5 154.04 45.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.12 106.44 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.721 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -26.9 10.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.808 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.37 32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.7 ' N ' ' O ' ' A' ' 105' ' ' PRO . 5.6 mm-40 -105.21 149.32 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.542 ' HA ' ' CD ' ' A' ' 29' ' ' LYS . . . -113.37 126.53 55.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 51' ' ' PRO . 7.5 mt -103.07 138.51 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.043 ' CE2' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.83 143.02 50.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 15' ' ' SER . 3.2 m -157.34 132.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -114.57 143.3 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.94 0.76 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.5 mm-40 -87.73 -49.15 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -117.17 15.0 14.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 18.9 pttt 51.34 60.55 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.612 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -126.49 117.28 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 111' ' ' VAL . 3.1 m -135.4 162.58 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA3' ' CE2' ' A' ' 128' ' ' TYR . . . 174.15 136.52 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.0 p-10 -80.23 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.553 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.28 144.21 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.553 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -62.54 -32.07 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' CG ' ' CE2' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -57.52 -40.47 78.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.65 -57.11 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.778 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -41.76 -51.01 4.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -58.2 -57.3 13.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.454 ' CE2' ' CG ' ' A' ' 124' ' ' ASP . 12.5 m-85 -69.92 -79.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.043 HD11 ' CE2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -136.79 87.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.9 OUTLIER -26.61 -118.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.876 ' HG3' HD12 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -96.58 -60.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.718 ' HG3' HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -71.26 -67.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.731 ' C ' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.714 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -157.01 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.551 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 28.6 mtt180 -143.56 -64.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -91.4 119.56 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.956 HD11 ' HG2' ' A' ' 133' ' ' LYS . 6.0 mm -92.99 110.95 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.914 ' O ' HG22 ' A' ' 111' ' ' VAL . 2.4 m -107.49 105.18 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -126.87 140.99 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.789 ' HB2' HD13 ' A' ' 109' ' ' LEU . 18.1 m-30 -106.55 163.25 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 ' HE3' ' A' ' 29' ' ' LYS . 6.3 m -99.41 144.41 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.639 ' HA ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -144.03 34.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.917 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.0 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.132 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.3 -87.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -123.61 -146.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -18.74 -76.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.782 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -94.21 149.12 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.132 ' O ' HD11 ' A' ' 21' ' ' ILE . 2.4 mm -79.0 -50.61 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.68 -51.29 6.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.777 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -47.61 -50.75 23.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.08 ' HB3' HD13 ' A' ' 21' ' ' ILE . 8.7 tp-100 -70.1 -43.08 71.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.883 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -37.04 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.82 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -97.94 -36.15 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.247 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.777 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -43.46 -36.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.701 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 17.4 mm100 -86.38 -31.56 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 1.6 tp -66.33 -48.44 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.658 ' CD1' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.21 -17.89 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.35 -19.65 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.75 -83.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' CB ' ' NE2' ' A' ' 131' ' ' GLN . 0.6 OUTLIER -103.53 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 39' ' ' SER . 2.6 t -148.06 164.65 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 132' ' ' ARG . 48.5 t 178.81 -145.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' N ' ' OG ' ' A' ' 39' ' ' SER . 3.2 t60 -158.54 103.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -149.63 -46.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -143.38 170.4 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.09 130.62 53.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 HD11 ' A' ' 46' ' ' ILE . 22.0 t -97.63 143.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.839 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -107.74 116.6 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.883 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 1.6 mp -115.64 105.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.12 139.24 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.623 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -99.95 115.43 29.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -172.44 165.33 5.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.026 ' CD1' HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -84.26 136.09 40.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 69.77 5.45 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -55.92 138.28 48.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.571 ' HA ' HD22 ' A' ' 56' ' ' LEU . 3.4 p90 -52.71 -27.22 16.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -50.56 -57.97 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.8 mt-30 -85.83 -50.74 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -51.14 -25.65 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.531 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.15 -27.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 31.6 m-85 -73.48 -51.09 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.5 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.4 mmt -75.08 -36.48 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -55.24 -22.76 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.06 -44.44 11.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 p -47.37 -38.84 13.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -136.28 155.01 77.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.53 5.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.727 ' HA ' HG22 ' A' ' 68' ' ' VAL . 4.0 mt-30 -95.29 11.88 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -54.84 -51.01 56.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -74.96 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' A' ' 65' ' ' GLN . 3.6 m -48.47 -29.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 4.0 m -61.46 -32.27 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.744 HD23 ' CD1' ' A' ' 56' ' ' LEU . 3.2 mm? -76.84 -63.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.3 pt20 -53.95 -44.22 70.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.957 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.505 ' HG3' ' CB ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -68.0 -38.69 82.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.78 HD13 ' HE1' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -80.32 141.67 53.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 18.5 Cg_endo -74.95 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' CZ3' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 161.45 40.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -52.77 -60.44 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 81' ' ' LEU . 10.0 t70 -37.18 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -88.14 -58.46 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.776 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.3 p -78.39 -46.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.97 -13.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -109.14 -107.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.693 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -139.32 3.48 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -58.72 -143.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.934 ' CG ' HD21 ' A' ' 102' ' ' LEU . 11.2 m-70 -35.79 -25.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.948 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -45.76 -26.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.052 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.6 -156.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.052 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 19.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.08 -40.85 17.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 1.206 ' CD1' HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -104.93 -22.19 13.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.57 -165.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.923 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 22.82 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.612 ' H ' ' HG2' ' A' ' 92' ' ' MET . 9.6 m-20 -107.36 106.03 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.206 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.07 -32.6 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 11.4 tt0 -47.31 -27.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.1 mmtt -62.75 -27.67 69.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 11.5 m -100.04 -49.2 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' HB3' ' A' ' 20' ' ' ASP . 25.6 t -62.71 -28.55 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.618 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.2 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' VAL . 16.7 ttt180 161.89 -26.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -70.29 -157.85 2.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.975 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 35.39 -98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.78 ' HE1' HD13 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -151.5 144.66 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.493 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 1.2 m-20 -87.39 109.08 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.741 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -74.98 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 24.04 53.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 105' ' ' PRO . 11.7 mt-10 -145.13 155.45 43.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.09 127.54 55.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.789 HD13 ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -99.43 118.26 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.802 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.0 t-105 -109.85 140.02 44.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.967 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.914 HG22 ' O ' ' A' ' 15' ' ' SER . 4.4 m -152.38 134.74 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.726 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -113.21 137.99 50.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.24 2.98 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.043 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.613 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.4 tp10 -90.72 -53.71 4.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.685 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER -115.71 17.17 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.619 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 2.8 pttm 51.81 58.57 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.208 HD23 ' CZ ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -115.07 110.9 20.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 111' ' ' VAL . 6.4 m -135.95 146.94 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.84 144.41 9.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.8 p-10 -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 158.58 149.99 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.95 -33.93 4.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.97 ' HB1' ' HE3' ' A' ' 127' ' ' LYS . . . -62.87 -32.26 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -50.34 -34.54 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -64.26 -57.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.781 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -57.76 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.97 ' HE3' ' HB1' ' A' ' 123' ' ' ALA . 1.1 mptm? -42.67 -50.79 5.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 1.208 ' CZ ' HD23 ' A' ' 117' ' ' LEU . 6.3 t80 -100.33 -90.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.8 OUTLIER -95.54 89.71 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 132' ' ' ARG . 2.8 pp -48.61 -157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.62 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.18 -65.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -34.53 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.956 ' HG2' HD11 ' A' ' 14' ' ' ILE . 15.5 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 2.9 pt20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.738 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -140.25 -51.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.975 HG21 ' CH2' ' A' ' 113' ' ' TRP . 29.8 m -99.78 111.3 23.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.944 HG22 ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm -100.89 115.15 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.9 OUTLIER -97.27 104.35 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.944 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -104.6 136.37 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -103.4 154.32 19.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.75 HG22 HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -104.73 140.31 38.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.624 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -149.61 63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 53.0 155.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.238 HD12 ' CG ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -168.31 -69.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.739 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -152.0 -127.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.673 ' C ' ' OE1' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -55.24 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 10.5 m120 -84.11 89.14 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.043 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.9 mm -43.27 -29.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.39 -45.26 26.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.811 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 t -65.84 -71.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.238 ' CG ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -39.53 -34.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.765 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -47.08 -87.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.631 ' O ' HD12 ' A' ' 34' ' ' LEU . 45.6 m -95.16 -47.63 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.4 mm? -36.9 -38.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.896 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 6.3 mm100 -78.75 -46.11 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' CD1' ' OE1' ' A' ' 131' ' ' GLN . 5.6 tp -51.8 -43.12 62.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.958 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -78.86 -20.21 50.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -0.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -94.43 -74.98 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.84 -166.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.794 HG13 ' N ' ' A' ' 39' ' ' SER . 2.8 p -164.24 -145.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.794 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.0 m 94.62 106.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -46.15 121.96 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HB3' ' C ' ' A' ' 133' ' ' LYS . 2.5 mmt85 -151.1 -99.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.858 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -93.73 174.75 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.07 120.74 39.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.958 HG11 HD21 ' A' ' 34' ' ' LEU . 33.2 t -87.84 126.73 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -111.23 115.79 29.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.81 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -107.67 109.92 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -135.51 145.99 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.583 ' HB3' ' CB ' ' A' ' 18' ' ' THR . 9.0 p30 -120.55 118.7 30.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -168.31 163.64 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CD1' ' O ' ' A' ' 92' ' ' MET . 0.8 OUTLIER -71.76 114.53 29.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 14.8 p -57.68 146.76 29.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.743 ' HA ' HD22 ' A' ' 56' ' ' LEU . 48.8 p90 -55.13 -24.01 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 107.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -45.97 -63.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -88.33 -30.72 19.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.963 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -62.99 -23.7 67.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -45.65 -49.69 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.3 -54.27 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.769 ' HE3' HG12 ' A' ' 111' ' ' VAL . 3.9 mmt -65.84 -28.78 69.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -55.69 -41.91 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -39.25 80.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -84.38 51.39 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.06 145.66 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -35.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -88.83 -18.91 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . 33.71 -99.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.91 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 -42.14 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t -45.86 -38.82 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -41.49 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 109' ' ' LEU . 2.9 mm? -72.94 -55.38 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 2.4 mm100 -51.0 -32.28 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -78.79 -20.95 48.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -68.1 -40.04 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 1.061 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -80.8 163.03 57.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -75.01 144.18 29.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.48 56.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -46.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 4.3 p-10 -40.49 -28.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 1.3 p -77.85 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.061 HG11 HG22 ' A' ' 74' ' ' ILE . 9.3 p -75.68 -32.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.1 tm? -59.73 -13.61 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.77 -103.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.592 ' CA ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -135.67 3.91 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -61.79 -141.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 89' ' ' THR . 2.0 m170 -30.53 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.892 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.76 -30.83 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -40.85 -158.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.945 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.08 26.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.88 -45.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.813 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.1 m-85 -106.83 -28.58 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.512 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -45.41 -101.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.763 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.51 -46.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.3 OUTLIER -128.64 102.34 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.22 -47.89 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 1.051 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.48 -25.18 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.744 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 47.8 t -98.66 -35.21 10.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.775 HG23 ' CE1' ' A' ' 90' ' ' PHE . 6.3 t -80.69 -26.62 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.76 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 172.35 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -58.25 -165.83 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 90' ' ' PHE . 1.5 tt 37.64 -95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.612 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -145.99 140.11 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.439 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . 2.7 p30 -85.58 107.64 13.23 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.828 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -14.56 21.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.828 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 31.78 44.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 1.8 mm-40 -116.28 159.46 21.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . . . -111.89 128.64 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.9 mm? -94.15 117.0 29.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.866 ' CH2' HD11 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -105.65 130.22 53.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -157.07 131.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 110' ' ' TRP . 5.1 t70 -128.48 142.3 51.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.975 ' CH2' HG21 ' A' ' 13' ' ' THR . 12.4 p-90 -125.77 18.35 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.62 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -92.02 -46.95 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.617 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.3 m-20 -116.8 21.17 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.617 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 19.6 pttt 54.6 53.33 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' CD1' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -131.07 141.29 50.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 111' ' ' VAL . 95.6 t -148.63 169.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.616 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 176.92 151.08 8.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.1 p-10 -93.78 155.16 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER 81.39 156.35 0.12 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.454 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.02 -41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.92 -26.65 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.63 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -55.84 -49.67 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -49.27 -54.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.693 ' HA ' ' CB ' ' A' ' 130' ' ' ILE . 1.1 t0 -50.85 -46.72 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.545 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.82 -55.16 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.743 ' CB ' HD13 ' A' ' 129' ' ' ILE . 20.4 m-30 -87.76 -81.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.866 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -119.71 87.34 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.903 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.67 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.903 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -54.8 2.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.797 HH21 HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -167.37 71.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.672 ' HB2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HG3' ' OH ' ' A' ' 128' ' ' TYR . 18.5 Cg_endo -75.0 -158.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.5 -43.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' OE1' ' A' ' 114' ' ' GLU . 39.4 m -103.28 114.54 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 16' ' ' LEU . 6.0 mm -101.97 113.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.95 106.15 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 14' ' ' ILE . 2.5 mm? -110.99 126.04 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.916 ' CD2' HD21 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -99.69 133.32 44.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.911 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.1 m -91.89 144.6 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' PRO . 59.8 t30 -140.91 54.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.792 ' C ' HG13 ' A' ' 21' ' ' ILE . 21.1 t70 64.57 168.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.039 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 179.17 -91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -138.93 -135.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 22' ' ' ALA . 53.2 m -33.02 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.711 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -87.18 92.89 9.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.005 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.84 -36.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.6 -58.42 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.945 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -60.61 -67.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.862 ' HB3' HD12 ' A' ' 21' ' ' ILE . 33.0 tp60 -40.05 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 1.039 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.669 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 m -79.83 -57.09 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 108.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.945 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -33.1 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 31.1 mm-40 -79.19 -50.32 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -54.08 -49.51 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -71.0 -17.19 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.0 tttp -59.89 -6.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.89 -59.8 6.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 63.0 m-20 -159.14 74.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -90.5 176.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER 177.12 -46.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 162.32 -99.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.662 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.78 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.2 mmp_? 63.94 -64.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -138.13 175.48 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.65 116.35 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 46' ' ' ILE . 98.8 t -91.65 136.23 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.717 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -105.97 113.9 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.81 101.4 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.65 143.77 39.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 7.7 p30 -104.86 116.59 32.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.809 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -165.87 155.44 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 94' ' ' LEU . 35.7 t80 -73.77 136.26 77.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.05 65.62 6.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.502 HG22 ' HD2' ' A' ' 50' ' ' PHE . 33.0 p -58.96 143.38 48.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 1.6 m95 -55.1 -27.02 41.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -58.82 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.43 -51.61 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.775 HD13 ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.04 -23.85 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.546 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -42.54 -26.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.0 m-85 -67.95 -51.93 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.636 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -75.54 -29.81 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.01 -39.87 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.53 -45.97 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -56.85 -46.96 81.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -127.12 139.57 35.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.14 4.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.711 ' HA ' HG12 ' A' ' 68' ' ' VAL . 1.2 mt-30 -97.06 13.08 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.642 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -58.92 -41.49 96.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 65' ' ' GLN . 3.0 p -47.42 -30.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -67.27 -37.01 82.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -76.37 -53.85 7.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.49 -37.79 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.921 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.01 -17.4 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.606 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.776 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -84.71 141.67 38.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.3 Cg_endo -75.01 59.69 5.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 178.21 37.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.921 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.3 -61.5 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 6.6 t70 -40.63 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.524 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -87.07 -58.1 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.915 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 7.7 p -81.15 -43.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.857 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -55.95 -5.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -127.67 -97.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.624 ' C ' HG22 ' A' ' 86' ' ' THR . 10.7 m-85 -168.94 8.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.732 ' O ' ' N ' ' A' ' 86' ' ' THR . 4.1 ttpp -55.48 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.632 ' O ' ' CG2' ' A' ' 89' ' ' THR . 18.4 m-70 -36.96 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.108 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.3 t -53.44 -16.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.112 ' HB2' ' HD2' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -31.88 -141.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.112 ' HD2' ' HB2' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.07 19.26 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.632 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.1 t -80.0 -49.53 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 1.132 ' CD1' HD12 ' A' ' 94' ' ' LEU . 8.5 m-85 -102.0 -27.84 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -44.67 174.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.81 ' HE1' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 37.01 -78.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.019 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -112.37 102.91 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.132 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.54 -30.31 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.65 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -45.24 -27.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -66.11 -32.09 73.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.663 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 16.7 m -97.18 -49.88 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.649 HG23 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -57.19 -33.37 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.675 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -41.44 -24.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 149.75 -16.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.722 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -56.96 -161.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 26.99 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.877 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -140.72 151.19 44.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER -86.98 99.92 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.877 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.06 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.716 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 172.81 32.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 20.3 mm-40 -107.06 149.63 27.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -128.89 129.23 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.916 HD21 ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -122.9 127.86 49.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 3.9 p-90 -101.66 138.46 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' SER . 13.7 m -148.68 115.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.522 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -99.26 150.24 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 7.1 t90 -123.23 6.0 9.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -88.2 -46.25 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.573 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 12.3 m-20 -113.76 19.41 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 9.6 ptpt 53.04 53.87 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.942 HD13 ' CE1' ' A' ' 128' ' ' TYR . 2.0 mt -113.78 139.15 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 59' ' ' MET . 17.1 t -148.32 155.14 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.99 113.51 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 7.7 p-10 -68.85 -175.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER 77.8 146.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.555 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.06 -41.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.24 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.711 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 1.6 t0 -59.2 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.767 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.19 -51.97 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.905 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -49.21 -53.72 20.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 32.9 mmtt -57.67 -55.94 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 129' ' ' ILE . 2.9 t80 -67.88 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.949 HG13 ' CD2' ' A' ' 128' ' ' TYR . 1.2 pp -137.61 92.7 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.905 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -54.91 -163.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.783 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -53.72 -50.44 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.827 ' HG3' HD11 ' A' ' 130' ' ' ILE . 2.9 ptp180 -103.2 57.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.797 ' HG3' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.06 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' H ' ' CB ' ' A' ' 114' ' ' GLU . 48.6 mtt-85 -134.96 -68.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -89.79 118.6 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.939 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 5.6 mm -98.21 110.94 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.679 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -100.69 103.36 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.051 HD21 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -115.97 146.86 41.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.642 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-85 -123.73 150.87 43.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.855 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -99.07 139.8 34.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.7 t-20 -144.52 64.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.881 ' HB2' HG13 ' A' ' 98' ' ' VAL . 9.7 t0 55.73 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.129 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -177.85 -91.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -137.93 -139.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.3 m -31.31 -92.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.677 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 31.2 m120 -82.54 101.44 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.129 ' O ' HD11 ' A' ' 21' ' ' ILE . 11.6 mm -47.83 -35.48 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.809 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -82.62 -58.49 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.746 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -57.43 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.98 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.8 tp60 -39.93 -32.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 1.007 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -55.18 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.782 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -93.71 -53.65 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 108.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.746 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 2.6 mm? -33.35 -42.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.767 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.0 mm100 -81.69 -30.85 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -69.95 -51.38 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.942 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -77.25 -9.93 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -50.94 -14.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -68.34 -77.23 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 131' ' ' GLN . 1.5 m-20 -120.07 173.84 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -178.85 158.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.619 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.7 t 149.28 167.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.1 m80 -37.52 105.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HG3' ' HD2' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -158.15 -66.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.685 ' CD2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -162.21 169.07 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -98.15 119.05 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.942 HG11 HD21 ' A' ' 34' ' ' LEU . 12.9 t -93.93 126.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -101.19 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -108.98 105.16 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.642 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.63 136.82 33.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.525 ' HA ' ' HB ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -92.41 117.42 29.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -167.67 161.17 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 10.3 t80 -72.81 133.44 82.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 62.21 5.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 1.06 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.3 p -59.88 128.29 36.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.744 ' O ' ' N ' ' A' ' 57' ' ' GLN . 4.7 m-90 -61.88 -16.69 52.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.82 -56.29 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -42.81 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.06 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.2 -18.17 65.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' TRP . 20.5 tp60 -39.17 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LEU . 23.1 m-85 -71.09 -52.77 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -76.5 -35.42 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -54.73 -23.95 20.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -86.92 -44.96 11.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -67.74 -19.39 65.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -127.0 132.65 24.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.317 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.87 4.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.659 ' HA ' HG22 ' A' ' 68' ' ' VAL . 8.8 mt-30 -95.74 12.09 31.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.557 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.88 -47.36 91.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.107 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -75.0 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 65' ' ' GLN . 4.2 m -48.29 -29.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 6.0 t -67.05 -33.81 76.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 56' ' ' LEU . 1.9 mt -75.52 -52.79 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -38.36 87.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.835 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.9 mmm180 -80.66 -16.32 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -68.87 -40.76 79.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.632 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -74.02 166.6 43.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB2' ' CE3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -74.93 -64.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 59.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.892 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.97 -60.5 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.34 -27.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.535 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -78.6 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.97 HG23 ' OG1' ' A' ' 86' ' ' THR . 8.5 p -79.03 -30.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -59.77 -9.37 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -132.35 -88.33 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.679 ' C ' HG22 ' A' ' 86' ' ' THR . 3.2 t80 -173.87 9.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.741 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.25 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.2 m-70 -36.42 -18.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.125 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.4 t -52.47 -15.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.203 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 0.8 OUTLIER -31.12 -143.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.203 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -74.99 18.7 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.3 t -79.49 -49.77 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 1.029 ' CD1' HD12 ' A' ' 94' ' ' LEU . 2.4 m-85 -100.47 -21.45 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.749 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -44.94 -174.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.895 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 28.88 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.64 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.4 m-20 -108.53 102.25 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.029 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.18 -27.32 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.78 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 36.2 tp60 -48.15 -31.17 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 19.2 mmtp -62.1 -35.1 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.0 m -88.3 -26.46 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 20' ' ' ASP . 65.8 t -75.8 -16.22 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.78 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 1.8 mm-40 -46.22 -12.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.77 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 122.91 10.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -90.41 -122.94 2.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.759 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 2.31 -79.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.808 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -143.61 165.0 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -103.57 86.16 1.1 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.808 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.99 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -157.76 39.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 4.1 mm-40 -119.79 152.58 37.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.0 142.88 46.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.14 132.62 51.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.939 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.7 t-105 -128.77 122.61 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.84 HG12 ' HB ' ' A' ' 118' ' ' VAL . 34.6 m -140.2 131.02 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.754 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -112.69 133.93 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.69 3.85 25.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.55 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.6 tp10 -91.05 -52.62 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.679 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -116.95 18.24 14.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 51.81 54.79 10.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 2.6 tp -114.58 111.5 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.84 ' HB ' HG12 ' A' ' 111' ' ' VAL . 2.8 m -136.75 165.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.42 5.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 9.8 p-10 -83.91 160.7 21.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 86.88 151.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -74.94 -41.06 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.46 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.757 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -53.63 -40.91 66.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 1.051 HD11 HD21 ' A' ' 16' ' ' LEU . 1.4 mt -54.66 -58.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.977 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -47.68 -43.55 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -47.47 -55.73 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.757 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -91.47 -76.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 125' ' ' ILE . 1.3 pp -119.96 95.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.977 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -59.92 -158.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.618 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.4 mp0 -53.51 -44.97 69.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.734 ' O ' HD11 ' A' ' 130' ' ' ILE . 6.4 tmm_? -112.19 93.94 4.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.695 ' HD2' HG22 ' A' ' 129' ' ' ILE . 1.9 tmtp? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' HB3' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 148.67 35.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -120.39 -88.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.747 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 m -90.57 120.66 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.718 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 mm -96.99 121.78 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.8 105.08 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 110' ' ' TRP . 1.3 mm? -108.08 139.14 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.4 m-85 -111.8 158.21 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 29' ' ' LYS . 1.8 m -106.08 141.0 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.57 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 m-80 -148.78 71.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER 51.15 163.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.193 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 179.99 -98.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.46 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.646 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.5 t 15.68 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.634 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -90.31 98.35 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.193 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.66 -31.05 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.7 -56.96 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 m -55.77 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.031 ' HB3' HD12 ' A' ' 21' ' ' ILE . 6.1 tp-100 -45.15 -30.95 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.993 ' CE ' ' HB2' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -52.02 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 m -95.12 -50.57 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.0 mm? -34.51 -40.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.723 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 5.5 mm-40 -79.69 -44.86 20.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.907 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -52.81 -41.3 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.013 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.63 -23.55 49.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -8.8 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.25 -50.79 3.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HB2' ' CG ' ' A' ' 131' ' ' GLN . 21.6 m-20 -106.42 -100.11 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 132' ' ' ARG . 1.5 p -176.06 168.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.624 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 87.4 p -128.59 153.99 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.638 ' O ' ' C ' ' A' ' 41' ' ' ARG . 3.6 m170 172.07 -98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.738 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -14.64 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 44' ' ' VAL . 3.5 p90 -106.24 165.72 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.56 132.2 48.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 42' ' ' PHE . 36.5 t -87.88 137.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -104.67 113.07 26.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.854 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -112.8 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.75 137.21 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.646 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -103.94 116.84 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -165.56 155.59 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.32 110.17 6.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.675 ' HB2' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 60.98 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.728 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.12 145.45 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.917 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -59.89 -25.65 65.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -45.84 -59.64 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 58' ' ' TYR . 1.2 mt-30 -86.17 -41.17 14.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -51.19 -20.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -39.22 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.816 ' CE2' ' CE2' ' A' ' 113' ' ' TRP . 8.1 p90 -71.66 -45.4 62.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -76.8 -33.22 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.655 ' HB2' HD11 ' A' ' 56' ' ' LEU . 15.9 ttt180 -55.8 -20.08 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 -45.98 9.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -62.99 -11.76 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.635 ' HB2' HG22 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -161.48 141.5 7.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -29.63 8.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.614 ' HB3' HG12 ' A' ' 68' ' ' VAL . 3.6 mt-30 -96.73 11.38 35.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -47.31 -53.17 12.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.861 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 -49.03 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.993 HG22 ' HD2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -48.96 -31.34 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -67.79 -34.33 76.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.6 mt -73.54 -46.8 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.719 ' NE2' ' CZ3' ' A' ' 53' ' ' TRP . 4.3 mm-40 -65.53 -42.85 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.993 ' HD2' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -73.95 -18.34 60.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.77 ' HG3' HD22 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -64.88 -41.91 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.834 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -64.29 173.05 1.63 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.834 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -41.47 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.644 ' H ' HG23 ' A' ' 74' ' ' ILE . 3.6 mtpt -109.46 87.84 2.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.871 ' N ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -67.75 -61.1 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -40.95 -27.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.523 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.35 -61.58 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 86' ' ' THR . 7.1 p -79.14 -31.86 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -57.95 -15.49 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -114.54 -100.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.654 ' C ' ' CG2' ' A' ' 86' ' ' THR . 1.1 t80 -142.7 4.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 tttt -63.42 -139.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 1.02 ' CD2' HD11 ' A' ' 102' ' ' LEU . 8.6 m170 -28.56 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.911 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.35 -29.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.997 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.59 -158.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.97 20.69 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.38 -43.93 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.846 ' CE1' HG23 ' A' ' 98' ' ' VAL . 9.4 m-85 -104.59 -20.66 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.35 -140.44 0.0 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.772 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -17.39 -50.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.646 ' N ' ' O ' ' A' ' 91' ' ' GLY . 2.1 m-20 -115.69 104.65 11.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -91.64 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.738 ' O ' ' N ' ' A' ' 99' ' ' GLN . 60.7 mm-40 -52.87 -27.93 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.605 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 2.1 mmmm -59.44 -29.87 68.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.701 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 42.2 t -104.09 -41.54 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.846 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -75.73 -16.12 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 95' ' ' GLN . 1.6 pt20 -35.28 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' VAL . 10.4 tpt180 158.07 -21.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -64.07 -148.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 29.35 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.697 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -141.63 153.13 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.1 p30 -86.38 108.82 19.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.5 Cg_endo -75.01 -32.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.19 30.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 105' ' ' PRO . 28.9 mt-10 -113.97 153.84 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.993 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.26 133.7 55.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -91.58 115.26 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.82 ' CZ2' ' CE2' ' A' ' 128' ' ' TYR . 5.9 p-90 -102.74 119.39 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 15' ' ' SER . 4.0 m -145.41 130.64 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.817 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -122.74 142.17 51.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.816 ' CE2' ' CE2' ' A' ' 58' ' ' TYR . 2.0 m95 -98.14 -95.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' HB2' ' A' ' 113' ' ' TRP . 29.0 mt-10 -46.64 -14.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.817 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -87.75 -4.99 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER 44.43 38.69 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -138.21 123.6 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.722 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -143.84 159.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.571 ' HA3' ' NE1' ' A' ' 110' ' ' TRP . . . 169.97 -167.3 40.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.9 t30 -128.56 163.65 24.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.0 mt-10 91.87 143.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.64 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.57 -39.89 74.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.603 HD11 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.64 -55.44 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.815 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -52.14 -45.95 65.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.553 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -50.99 -60.4 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.82 ' CE2' ' CZ2' ' A' ' 110' ' ' TRP . 36.3 m-85 -79.15 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -132.94 97.46 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.854 HD12 ' H ' ' A' ' 132' ' ' ARG . 0.5 OUTLIER -43.65 -125.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.677 ' NE2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -104.9 -24.94 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.854 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -125.85 -7.26 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.928 ' HB2' HG22 ' A' ' 129' ' ' ILE . 4.2 tptm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HB2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.04 138.42 22.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.584 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 8.1 mtt180 -111.31 -49.3 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.599 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 31.0 m -123.89 117.92 25.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 11' ' ' PRO . 6.4 mm -93.2 108.75 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.569 ' CB ' HG12 ' A' ' 111' ' ' VAL . 19.5 m -102.53 96.19 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 HG22 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -102.96 143.49 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 70.8 m-85 -121.11 153.44 37.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.915 HG22 HG22 ' A' ' 25' ' ' ILE . 1.2 m -97.35 141.76 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.649 ' OD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -146.62 74.41 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 21' ' ' ILE . 6.2 t0 67.23 -179.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.95 HG21 ' HB3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER 167.15 -76.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.832 ' N ' HG22 ' A' ' 21' ' ' ILE . . . 170.45 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 t -66.0 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.647 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.9 m-20 -113.28 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.94 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 2.2 mp -58.84 -41.26 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -72.25 -53.62 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.92 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -61.31 -70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.95 ' HB3' HG21 ' A' ' 21' ' ' ILE . 2.7 tt0 -42.71 -40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.844 ' HA ' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -42.36 -82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -98.26 -52.85 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -32.25 -44.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 12.3 mm-40 -79.0 -44.65 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.8 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -51.93 -44.45 63.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.902 HD21 HG21 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.1 -19.24 47.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' GLN . 10.4 tttt -59.04 -12.23 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.12 -90.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB3' ' NE2' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -92.71 -161.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 39' ' ' SER . 0.7 OUTLIER -141.84 153.69 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER 173.29 -146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.565 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 0.8 OUTLIER 158.75 117.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -171.44 -36.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -106.35 171.4 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.37 122.85 47.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.902 HG21 HD21 ' A' ' 34' ' ' LEU . 9.6 p -102.18 140.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -123.53 114.33 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 46' ' ' ILE . 3.0 mp -111.77 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.666 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.82 137.58 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' H ' ' A' ' 18' ' ' THR . 10.6 p30 -91.78 123.04 34.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.6 mmt-85 -162.38 159.77 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.729 ' CB ' ' HB3' ' A' ' 94' ' ' LEU . 54.0 p90 -80.87 112.7 34.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.778 ' HG3' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.07 68.13 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.99 151.08 36.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.775 ' HA ' HD22 ' A' ' 56' ' ' LEU . 9.5 p90 -68.45 -23.96 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.03 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -56.69 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.86 -42.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.854 ' CD1' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.53 -23.23 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -42.63 -27.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' LEU . 14.3 m-85 -74.09 -54.98 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.802 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mtt -71.84 -33.42 68.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' HA ' ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -50.89 -38.01 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -73.49 -42.59 61.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -86.32 15.09 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.1 t -139.46 135.64 17.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 108.239 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.31 3.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.837 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -80.82 -22.74 39.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 60' ' ' ARG . . . 35.45 -119.78 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -34.75 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -46.81 -30.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -74.74 -45.92 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.854 HD23 ' CD1' ' A' ' 56' ' ' LEU . 2.4 mm? -69.16 -48.7 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 13.8 mm-40 -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 5.5 mmt180 -59.48 -21.32 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.51 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 2.2 tp-100 -73.07 -38.24 66.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.992 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -81.95 164.33 49.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.573 ' CG ' ' CB ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.04 131.51 14.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 80' ' ' VAL . 12.2 tttt 79.44 63.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.843 ' N ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -56.44 -62.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.617 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.9 p-10 -44.54 -25.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.4 -61.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.992 HG11 HG22 ' A' ' 74' ' ' ILE . 7.2 p -75.47 -38.91 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.08 -16.13 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.25 -106.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.657 ' C ' ' CG2' ' A' ' 86' ' ' THR . 5.6 m-85 -135.38 3.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -62.21 -143.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.954 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.4 m170 -27.84 -32.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.92 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.77 -27.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.92 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -40.18 -157.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.913 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 26.54 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.37 -43.1 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 74' ' ' ILE . 13.8 m-85 -105.38 -29.92 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 50' ' ' PHE . . . -47.38 -105.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.789 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -30.67 -51.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.717 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -127.14 101.32 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.01 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -102.0 -23.02 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.859 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -71.45 -63.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 100' ' ' ARG . 10.2 mmmm -48.94 -21.85 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.65 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -89.57 -54.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 74' ' ' ILE . 29.3 t -77.4 -60.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.764 ' HG3' ' CB ' ' A' ' 95' ' ' GLN . 28.4 mm-40 -45.24 -19.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 176.02 85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . 161.57 171.81 28.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.954 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 46.26 -92.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CB ' ' CG ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -142.98 154.77 44.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 107.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 20' ' ' ASP . 6.0 m-20 -101.8 105.67 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.788 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.93 -7.86 19.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.788 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.7 54.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 9.7 mm-40 -139.83 158.56 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.76 136.32 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.778 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.48 135.77 33.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.674 ' CE3' ' OD1' ' A' ' 112' ' ' ASP . 13.9 p-90 -125.96 118.02 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.944 HG23 HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -134.6 133.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.733 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -129.94 133.31 46.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.644 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER -102.05 -77.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -0.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.733 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.94 -12.06 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 5.9 ptmt 51.83 36.2 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.07 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -135.58 120.78 18.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.944 HG13 HG23 ' A' ' 111' ' ' VAL . 47.6 t -133.14 168.88 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.613 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 160.22 165.2 16.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.647 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 16.1 p-10 -118.61 114.14 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 148.36 145.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.727 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.98 -30.62 7.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.478 ' HB1' ' CE ' ' A' ' 127' ' ' LYS . . . -66.59 -26.95 67.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.643 ' OD2' ' CD1' ' A' ' 110' ' ' TRP . 56.6 m-20 -56.24 -51.81 66.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.8 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.31 -54.28 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.706 ' HA ' HG22 ' A' ' 130' ' ' ILE . 4.7 t70 -51.19 -56.33 13.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -52.83 -51.25 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 1.07 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.16 -87.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -116.12 91.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 129' ' ' ILE . 1.8 pp -41.52 -133.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.695 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.82 -55.93 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.94 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -151.94 116.57 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.54 ' O ' ' CD ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 1.6 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.539 ' HB3' ' HB2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.617 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 7.5 ttt-85 -144.26 -54.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' HD13 ' A' ' 14' ' ' ILE . 53.7 m -93.95 112.7 24.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.789 HG23 ' OD1' ' A' ' 112' ' ' ASP . 2.7 mm -100.89 112.81 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB3' HG12 ' A' ' 111' ' ' VAL . 14.9 t -98.69 100.63 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.963 ' CD2' HD11 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -103.84 134.41 47.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CB ' HD13 ' A' ' 109' ' ' LEU . 30.5 m-85 -104.01 154.18 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.65 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.8 m -97.3 143.31 28.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.598 ' OD1' HD11 ' A' ' 109' ' ' LEU . 1.2 m120 -149.25 39.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.961 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.5 t0 54.54 154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.044 HD13 ' HB3' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -162.71 -41.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' ' 25' ' ' ILE . . . -172.8 -133.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ALA . 5.6 t -36.41 -89.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.723 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -81.94 101.19 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.997 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -44.45 -46.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -78.62 -63.26 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.811 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -49.24 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.044 ' HB3' HD13 ' A' ' 21' ' ' ILE . 5.2 tp-100 -40.48 -32.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 1.066 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.81 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.9 t -93.17 -53.19 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' C ' ' A' ' 27' ' ' SER . 2.7 mm? -32.95 -36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.861 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.3 mm100 -82.35 -42.68 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER -58.6 -45.73 88.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.937 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -75.23 -18.67 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 54.5 tttt -56.77 -12.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -74.35 -92.52 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.787 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.4 m-20 -78.68 -167.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 37' ' ' ASP . 2.1 t -165.57 152.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER 170.16 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 41' ' ' ARG . 11.3 p-80 -122.89 -111.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER 76.3 -69.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.5 175.96 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.12 139.12 34.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.937 HG11 HD21 ' A' ' 34' ' ' LEU . 92.5 t -90.06 142.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.786 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -98.97 116.79 32.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 2.1 mp -117.72 97.91 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.686 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -146.7 143.55 28.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.55 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 5.2 p30 -85.49 123.57 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.0 tpt180 -132.85 152.07 51.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.86 141.2 54.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.01 59.28 5.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 1.049 ' O ' HD22 ' A' ' 56' ' ' LEU . 52.8 p -100.83 128.37 46.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.614 ' O ' ' N ' ' A' ' 57' ' ' GLN . 21.9 p90 -71.84 -19.79 61.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 37.1 t0 -50.65 -57.46 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HB3' HD13 ' A' ' 56' ' ' LEU . 8.6 tp60 -82.18 -51.02 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.03 -13.85 19.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 53' ' ' TRP . 5.5 tt0 -36.68 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.9 t80 -64.81 -56.15 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.823 ' HB3' HG21 ' A' ' 118' ' ' VAL . 3.6 mmt -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CG ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -58.97 -39.98 83.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.431 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -65.77 -44.96 84.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 p -87.63 43.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -175.28 138.68 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 108.319 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -92.26 11.02 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.632 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -12.39 -94.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 18.4 Cg_endo -74.98 -28.37 9.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.682 HG12 ' HD3' ' A' ' 72' ' ' ARG . 14.0 t -43.98 -52.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 21.4 m -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.971 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.81 -53.41 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -65.43 -54.84 22.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.682 ' HD3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -55.14 -22.62 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 69' ' ' SER . 2.8 mm100 -69.61 -42.03 74.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -66.81 169.89 7.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 21.9 mmtt -89.01 56.45 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.51 -63.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.622 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 9.6 t70 -39.49 -28.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -82.08 -59.08 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 74' ' ' ILE . 5.2 p -75.81 -24.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.883 ' N ' ' O ' ' A' ' 77' ' ' LEU . 5.3 tp -63.39 4.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -140.4 -102.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.68 ' C ' ' CG2' ' A' ' 86' ' ' THR . 92.1 m-85 -136.21 1.12 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.95 -139.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.891 ' CG ' HD11 ' A' ' 102' ' ' LEU . 34.7 m170 -31.05 -31.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.916 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.38 -29.14 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.916 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -38.74 -160.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.99 25.04 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -96.34 -42.19 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.701 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -105.53 -28.78 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.629 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -49.65 -116.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.718 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -25.35 -48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.635 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -122.18 101.84 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.43 -56.18 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 1.03 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -55.54 -29.38 58.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 15.1 mmmt -61.84 -28.48 69.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.684 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.2 m -96.47 -47.09 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 94' ' ' LEU . 2.7 t -63.01 -33.09 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.645 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.31 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 152.55 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -54.45 -107.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.891 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -28.7 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.679 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -143.59 158.36 43.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.6 p-10 -105.25 91.48 4.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.817 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -150.06 59.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -141.18 150.18 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.53 126.26 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -94.37 128.67 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ3' ' CE2' ' A' ' 128' ' ' TYR . 18.5 p-90 -106.41 142.34 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -158.46 127.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.789 ' OD1' HG23 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -128.95 140.62 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.679 ' CG ' ' HE1' ' A' ' 59' ' ' MET . 0.4 OUTLIER -115.37 12.51 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.617 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -91.43 -46.65 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -113.14 20.1 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 53.12 41.81 32.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.14 HD13 ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -109.73 130.36 55.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 111' ' ' VAL . 24.5 t -144.26 150.82 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 174.6 -162.0 31.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 73' ' ' GLN . 10.9 p-10 -137.45 -175.6 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 2.2 tt0 77.94 142.02 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.99 -32.91 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.439 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -67.6 -27.66 67.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.734 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -54.72 -47.2 74.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.963 HD11 ' CD2' ' A' ' 16' ' ' LEU . 6.5 mt -50.75 -53.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 2.3 t0 -50.45 -54.27 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.41 -55.83 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 1.14 ' CE1' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -66.39 -79.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.878 HG13 ' CG ' ' A' ' 128' ' ' TYR . 1.1 pp -144.17 85.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.923 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -43.15 169.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.923 ' N ' HG12 ' A' ' 130' ' ' ILE . 5.8 pt20 -36.71 -45.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.875 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -73.82 -60.62 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.892 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HA ' ' HB3' ' A' ' 114' ' ' GLU . 18.3 Cg_endo -75.01 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -146.74 -41.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.4 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 49.9 m -109.11 117.08 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.669 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.0 mm -99.31 114.2 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.22 99.73 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD21 ' SG ' ' A' ' 30' ' ' CYS . 3.4 tp -118.94 124.7 47.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.3 m-30 -96.73 153.29 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.885 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -105.81 144.09 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.525 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -141.35 71.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.782 ' C ' HG13 ' A' ' 21' ' ' ILE . 10.3 t70 50.12 170.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -179.54 -97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -131.27 -144.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.6 t -24.1 -84.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -89.43 94.83 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.866 ' C ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.33 -36.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.885 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -85.43 -60.61 1.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.73 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -54.41 -68.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.862 ' C ' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -43.51 -26.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.934 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -57.4 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.994 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -95.27 -50.97 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 108.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.734 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.1 mm? -36.61 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.77 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 21.5 mm-40 -79.83 -49.46 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 122' ' ' PRO . 3.5 tp -59.28 -48.87 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.026 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -74.49 -12.94 60.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -55.01 -11.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -60.85 -100.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -91.98 -173.66 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 1.0 OUTLIER 171.99 157.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.2 p 156.19 171.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -36.79 131.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.574 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.761 ' CG ' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tpm_? 175.0 -144.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.761 ' CE1' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -93.24 173.82 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.6 129.71 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG12 ' C ' ' A' ' 133' ' ' LYS . 0.7 OUTLIER -95.47 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.743 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -109.52 116.13 31.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.994 HG23 ' SG ' ' A' ' 30' ' ' CYS . 6.0 mm -113.97 101.39 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -142.8 141.27 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -106.59 119.81 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 ptt180 -163.8 158.85 20.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CD2' ' C ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -68.44 110.44 5.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.0 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.592 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -58.54 155.31 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -60.15 -24.05 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -62.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.6 -36.61 20.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.65 -18.02 61.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.7 m-85 -62.71 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.941 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -78.28 -31.33 48.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.768 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.07 -28.5 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -89.48 -46.58 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 m -61.96 -27.58 68.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -130.93 141.7 42.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 27.1 tt0 -96.95 10.9 37.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.618 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -46.7 -50.99 13.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.669 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.04 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 65' ' ' GLN . 3.2 t -48.56 -31.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -62.02 -32.0 72.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.704 HD21 ' HG ' ' A' ' 56' ' ' LEU . 1.1 mm? -75.83 -52.47 10.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.49 -39.09 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.73 ' CD ' HD21 ' A' ' 77' ' ' LEU . 1.4 mmm180 -82.16 -20.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -74.49 -40.4 61.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.234 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -78.3 165.82 47.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.516 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.93 177.7 8.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 39.31 62.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.54 -25.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -77.55 -59.55 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.994 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 74' ' ' ILE . 6.4 p -82.93 -33.14 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -54.54 -5.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -127.4 -92.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.573 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -165.84 13.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.722 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.56 -150.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.658 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.2 m80 -35.57 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.064 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -51.11 -18.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.113 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -34.15 -143.49 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.113 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 19.37 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -79.11 -49.07 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.738 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.3 m-85 -97.07 -19.87 18.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.738 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.9 -147.34 0.0 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.701 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -4.47 -65.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.651 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.8 OUTLIER -110.41 106.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.648 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -90.11 -54.05 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.643 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -50.33 -25.69 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.1 mmmm -66.58 -28.08 68.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.72 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -100.33 -41.31 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.61 HG21 HD11 ' A' ' 94' ' ' LEU . 2.3 t -73.52 -25.23 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.643 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.41 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 163.22 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LEU . . . -46.08 -96.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -35.26 -92.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.661 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -149.37 155.8 41.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 108.028 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 2.1 p-10 -95.64 102.43 10.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.719 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -9.71 20.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.814 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.04 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -104.79 151.69 23.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.615 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.04 129.62 56.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.3 mt -103.55 114.03 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.808 ' CE3' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -110.27 131.95 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.712 ' HB ' HG22 ' A' ' 118' ' ' VAL . 18.8 m -156.48 127.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' LEU . 4.4 m-20 -105.9 144.33 32.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 2.2 t90 -116.75 4.84 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.592 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 3.5 mm-40 -90.64 -44.75 9.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -114.15 19.24 16.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.26 50.16 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.669 HD22 ' HH2' ' A' ' 110' ' ' TRP . 1.9 mt -108.53 142.56 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.941 HG21 ' HB3' ' A' ' 59' ' ' MET . 3.2 t -150.02 143.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . -178.24 128.72 1.31 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.8 p-10 -87.75 175.85 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.55 144.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.576 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.99 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.605 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -64.25 -28.94 70.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 2.7 t0 -62.77 -38.51 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.44 -58.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 1.05 ' O ' HG22 ' A' ' 130' ' ' ILE . 3.8 t0 -48.51 -54.19 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 14.1 mmtp -50.77 -49.63 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.99 ' HB3' HD13 ' A' ' 129' ' ' ILE . 33.5 m-85 -86.78 -90.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.99 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -110.77 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -75.16 -169.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.846 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.33 -50.83 28.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.994 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -46.16 -21.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 133' ' ' LYS . 2.5 pm0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 14' ' ' ILE . 18.2 Cg_endo -75.01 131.56 14.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 4.7 ttp180 -71.16 -29.44 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 14' ' ' ILE . 47.4 m -123.95 115.79 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.783 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm -100.88 125.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.924 ' HB3' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.06 98.54 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -109.6 128.33 55.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.648 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -97.84 154.44 17.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.962 HG23 ' CB ' ' A' ' 29' ' ' LYS . 95.2 m -102.1 140.01 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.601 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -136.94 43.04 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.938 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.63 158.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.061 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -156.43 -81.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -129.13 -137.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ALA . 36.8 m -38.21 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.717 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.0 m120 -83.67 103.89 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.061 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -59.4 -42.27 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -76.55 -50.48 13.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 1.023 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.93 -69.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 12.3 tp-100 -40.33 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.962 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -54.55 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.955 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.9 t -89.75 -46.44 8.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.023 HD23 ' HA ' ' A' ' 27' ' ' SER . 1.2 mm? -37.73 -40.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.858 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 2.9 pp0? -69.08 -42.85 75.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD11 ' HB ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -59.42 -55.23 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.955 HD22 ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -65.31 -14.92 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -56.47 -8.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -78.61 -57.77 3.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -133.2 176.01 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -176.63 150.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.1 m 156.26 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 6.3 m-70 40.83 -137.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 5.5 tpm_? 90.3 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CE2' HG22 ' A' ' 44' ' ' VAL . 28.3 p90 -92.16 173.75 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.66 125.98 44.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' CE2' ' A' ' 42' ' ' PHE . 16.7 t -89.99 139.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.783 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -100.92 111.38 23.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.803 HD12 ' N ' ' A' ' 46' ' ' ILE . 2.5 mp -116.96 95.76 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -141.96 137.64 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.676 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -96.44 117.08 30.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.19 154.35 10.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 94' ' ' LEU . 13.9 t80 -73.71 136.86 77.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 1.01 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.95 60.19 5.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.9 p -57.26 142.93 41.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.662 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -71.27 -22.49 61.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.61 -59.05 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.31 -38.65 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.689 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.18 -18.1 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -40.65 -27.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 56' ' ' LEU . 9.8 m-85 -67.5 -55.24 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.604 ' HE2' HG13 ' A' ' 111' ' ' VAL . 1.5 mtt -76.39 -34.47 58.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -53.81 -26.19 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.87 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -59.19 -38.33 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.2 m -124.41 142.38 40.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.625 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 11.2 mt-30 -81.5 14.34 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -28.36 -92.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.5 Cg_endo -74.89 -30.69 7.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -45.8 -40.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -33.1 54.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.01 HD13 ' HB2' ' A' ' 51' ' ' PRO . 2.0 mt -75.33 -58.83 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.4 mt-30 -54.36 -31.58 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.978 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.76 -19.45 48.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' HD22 ' A' ' 109' ' ' LEU . 2.8 tp60 -65.07 -38.92 92.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.758 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.71 140.08 47.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -74.97 50.4 2.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' CD ' ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -165.89 28.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.978 HD13 ' CD ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -43.78 -63.37 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.476 ' N ' HD23 ' A' ' 81' ' ' LEU . 22.7 t70 -40.18 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.552 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -88.12 -59.34 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.636 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.9 p -79.06 -46.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.73 -13.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.93 -105.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.517 ' O ' ' O ' ' A' ' 84' ' ' LYS . 2.1 t80 -141.16 -6.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -57.9 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 1.188 ' CG ' HD11 ' A' ' 102' ' ' LEU . 4.6 m-70 -29.7 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.934 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -48.54 -29.89 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.934 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -38.41 -160.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.96 23.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.67 -44.56 10.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.687 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -109.69 -23.9 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.687 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -38.12 -111.37 0.0 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.832 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -19.05 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.75 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.7 OUTLIER -110.53 106.56 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 95' ' ' GLN . 0.1 OUTLIER -66.05 -19.21 65.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 1.084 ' N ' HD23 ' A' ' 94' ' ' LEU . 11.1 tm0? -64.09 -30.72 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 50.2 mmtt -67.46 -20.85 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.641 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.8 t -96.94 -47.83 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -72.95 -22.4 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.638 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -37.3 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.6 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER 152.5 54.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.03 -159.76 9.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.188 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 40.26 -126.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.749 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 14.2 m0 -110.25 158.07 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.514 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 66.7 m-80 -73.83 105.17 1.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.833 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.3 Cg_endo -74.95 -24.46 12.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 5.71 57.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.833 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.8 mm-40 -139.53 152.58 47.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.98 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.76 124.15 37.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.058 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.7 t90 -103.82 129.91 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.924 HG12 ' HB3' ' A' ' 15' ' ' SER . 1.1 t -158.85 131.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.607 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.3 t70 -124.56 148.66 47.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.424 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.6 t90 -132.52 7.44 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.1 tm-20 -90.3 -45.28 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -112.67 3.58 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.778 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.7 tttt 69.52 63.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 118' ' ' VAL . 0.3 OUTLIER -131.97 155.56 47.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.513 ' H ' HD23 ' A' ' 117' ' ' LEU . 9.7 m -153.93 165.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 171.21 -163.72 36.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -145.76 167.93 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.28 146.55 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.93 -24.68 67.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -55.05 -40.03 69.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.881 ' HB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -49.77 -52.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -50.76 -50.98 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -57.15 -59.52 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 110' ' ' TRP . 20.3 m-85 -66.29 -74.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.058 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -146.75 83.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.925 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -35.66 168.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.925 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.39 -19.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.772 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -146.25 90.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.78 ' CB ' HG22 ' A' ' 129' ' ' ILE . 3.6 pttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.906 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 151.1 39.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 40.4 mtt180 -118.3 -50.95 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.487 ' C ' HD13 ' A' ' 14' ' ' ILE . 22.9 m -105.86 113.81 27.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.816 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 4.1 mm -100.06 114.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -99.09 105.32 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -112.63 147.2 37.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.618 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 45.9 m-85 -122.14 152.23 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.703 ' CG2' HG22 ' A' ' 25' ' ' ILE . 2.3 m -100.77 140.27 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.713 ' OD1' HD21 ' A' ' 94' ' ' LEU . 2.0 t30 -140.47 61.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.649 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 50.87 160.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.124 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -170.29 -82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' CD ' ' A' ' 28' ' ' GLN . . . -151.0 -138.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 22' ' ' ALA . 12.8 t -33.53 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.2 m120 -98.2 97.72 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.124 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -57.29 -37.51 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.32 -52.4 7.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -62.99 -64.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.997 ' HB3' HD12 ' A' ' 21' ' ' ILE . 4.1 tt0 -41.94 -32.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.773 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.04 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.691 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.5 t -96.67 -51.23 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 108.256 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 27' ' ' SER . 2.3 mm? -35.86 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.986 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -78.99 -50.22 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.9 tp -52.8 -43.32 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.873 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.46 -15.77 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.371 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 7.8 tttt -57.06 -9.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -88.13 -67.64 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -138.13 102.99 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 131' ' ' GLN . 9.1 p -143.12 171.34 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.529 ' H ' HG22 ' A' ' 38' ' ' VAL . 10.5 t 169.93 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -141.81 134.24 28.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CD ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 166.17 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.836 ' CE2' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -155.33 166.69 32.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.873 HG11 HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -100.95 127.34 54.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.756 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -106.52 112.32 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 45' ' ' GLU . 1.6 mp -110.21 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.89 139.68 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.63 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.8 p30 -101.58 121.57 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.758 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -163.75 158.47 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.781 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -70.22 120.68 79.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 48.53 2.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.7 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -60.83 166.63 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -61.31 -26.06 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -49.87 -58.27 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -33.61 21.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.09 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.91 -25.71 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 18.8 pt20 -42.5 -43.53 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.521 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 19.8 m-85 -63.44 -49.28 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE3' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -72.42 -28.68 63.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.78 -34.33 71.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 1.2 p -77.84 -46.41 21.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 55.0 p -83.53 42.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 155.98 129.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.16 3.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 36.8 tt0 -97.55 12.09 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -49.97 -49.87 34.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.02 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 72' ' ' ARG . 18.0 t -49.14 -31.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.526 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 67.7 m -67.07 -33.64 75.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.1 mt -72.98 -56.85 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.557 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.7 pt20 -61.25 -33.57 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.681 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.17 -16.59 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG3' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -69.35 -38.44 78.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.6 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.67 168.09 31.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -70.18 57.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.773 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.97 -64.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.618 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 2.0 t70 -45.79 -24.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.556 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -81.95 -58.98 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.943 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.68 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 12.5 p -75.87 -44.32 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.866 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -51.98 -15.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' C ' HG21 ' A' ' 86' ' ' THR . 8.6 tptt -110.69 -108.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.628 ' C ' ' CG2' ' A' ' 86' ' ' THR . 17.2 m-85 -134.89 1.17 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.744 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -64.14 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 1.118 ' CD2' HD11 ' A' ' 102' ' ' LEU . 19.6 m-70 -25.13 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.647 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.888 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.17 -28.87 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.048 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -40.6 -156.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.048 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 17.52 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.53 -41.55 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 1.176 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.4 m-85 -104.55 -17.22 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -49.0 -149.99 0.0 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.914 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 5.0 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.73 ' H ' ' HG2' ' A' ' 92' ' ' MET . 5.0 m-20 -111.96 101.02 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.99 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -87.42 -45.7 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.968 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -55.21 -26.85 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -68.37 -28.64 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.17 -40.26 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 1.176 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.3 t -74.89 -30.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.641 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.43 -39.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 178.16 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -51.21 -94.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.118 HD11 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -34.3 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.548 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 4.1 m95 -144.12 159.64 42.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.406 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 2.8 m-80 -106.91 95.88 13.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.792 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -12.9 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.792 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 32.91 41.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 33.6 mm-40 -119.69 155.37 32.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.81 126.27 55.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.72 HD23 ' HB3' ' A' ' 120' ' ' ASN . 6.2 mt -93.58 133.68 36.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.144 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 9.5 t90 -123.61 130.79 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.621 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.3 m -154.4 126.03 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -114.35 157.78 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.6 t90 -133.26 -54.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 13' ' ' THR . 4.4 mm-40 -58.63 -16.36 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.8 ' HB2' ' OD2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -116.29 1.17 13.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.3 51.31 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.747 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -130.61 146.94 52.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.553 ' CG2' ' HG3' ' A' ' 59' ' ' MET . 44.8 t -149.42 158.12 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 155.69 126.83 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.72 ' HB3' HD23 ' A' ' 109' ' ' LEU . 2.2 m120 -98.97 120.45 39.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.7 mt-10 153.76 151.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.98 -24.45 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 128' ' ' TYR . 95.3 m-20 -52.96 -50.59 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.684 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -50.83 -58.23 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 1.2 t70 -45.08 -53.63 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.51 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.563 ' CD2' HD22 ' A' ' 117' ' ' LEU . 9.6 m-30 -57.0 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.144 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -144.61 83.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -30.68 166.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.879 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -50.18 4.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.885 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -174.63 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' A' ' 129' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 1.068 ' HB3' HD21 ' A' ' 117' ' ' LEU . 18.5 Cg_endo -74.95 125.02 9.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' N ' ' CG ' ' A' ' 115' ' ' ASN . 8.9 mtt-85 -102.63 -81.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.784 ' N ' HD21 ' A' ' 115' ' ' ASN . 15.6 m -82.64 120.5 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.63 HG13 ' CD2' ' A' ' 42' ' ' PHE . 1.5 mm -100.86 121.22 51.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -111.16 99.66 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.41 139.49 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 81.5 m-85 -111.84 150.66 30.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.612 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 1.8 m -97.27 136.0 38.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 2.6 m120 -142.02 34.27 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.949 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 63.13 159.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.081 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.83 -74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -136.18 -130.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -39.07 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.699 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.7 m-20 -85.72 104.77 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.081 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -52.61 -39.03 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HD3' HG22 ' A' ' 25' ' ' ILE . 6.3 mmtp -81.31 -55.44 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.916 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -58.68 -65.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.029 ' HB3' HD13 ' A' ' 21' ' ' ILE . 63.4 tp60 -44.45 -34.55 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 2.5 tptm -45.32 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.68 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.23 -43.32 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.916 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -38.49 -42.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 34.9 mm-40 -80.48 -43.31 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -52.71 -47.38 67.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -73.34 -20.43 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -66.11 1.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -63.17 -115.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 5.3 t0 -64.87 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 p -153.57 167.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.625 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 80.3 p -157.99 157.26 32.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.4 m170 158.65 63.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -162.27 -53.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.036 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -93.78 168.17 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG12 ' A' ' 14' ' ' ILE . 1.6 m-20 -106.14 113.01 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.012 HG21 HD21 ' A' ' 34' ' ' LEU . 4.5 p -95.53 125.34 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.1 mm-40 -104.1 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.924 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -109.73 103.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.62 134.22 23.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 2.1 p30 -90.09 120.52 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -162.49 156.68 21.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.809 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.07 124.81 91.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.723 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.03 47.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.712 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -61.43 155.23 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.516 ' CZ3' ' CB ' ' A' ' 67' ' ' PRO . 57.2 m95 -55.08 -26.95 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -49.83 -59.47 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -44.12 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.63 -26.36 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.2 mt-30 -44.05 -31.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.632 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -71.73 -50.21 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -73.86 -30.76 62.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.5 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.47 -26.65 63.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.243 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.33 -45.19 16.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 p -66.44 -8.5 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -171.9 137.38 0.97 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.92 -21.62 15.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -94.3 7.32 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.705 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -64.45 -37.78 94.9 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -50.72 -28.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -56.55 -45.89 80.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.43 -54.46 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -49.49 -40.73 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.916 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.48 -18.8 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 109' ' ' LEU . 2.3 tm0? -64.21 -31.73 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.93 163.25 49.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.495 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.05 -42.9 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HB3' ' OG ' ' A' ' 79' ' ' SER . 3.6 mmtt -86.88 67.71 9.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 72' ' ' ARG . 4.0 tp -61.9 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 82' ' ' LYS . 9.6 p-10 -42.16 -28.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 51.1 m -73.82 -64.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.711 HG23 ' OG1' ' A' ' 86' ' ' THR . 12.5 p -79.63 -30.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.878 ' N ' ' O ' ' A' ' 77' ' ' LEU . 12.8 tp -60.57 -9.12 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -126.38 -100.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.4 t80 -144.24 -5.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.85 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.17 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.97 ' ND1' HD11 ' A' ' 102' ' ' LEU . 59.8 m-70 -27.71 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.965 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -47.59 -26.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.987 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -37.73 -158.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.987 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 19.67 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -82.53 -45.53 14.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.726 ' CD1' HD12 ' A' ' 94' ' ' LEU . 23.0 m-85 -106.38 -17.26 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.15 -163.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.956 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 18.4 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.675 ' H ' ' HG2' ' A' ' 92' ' ' MET . 12.7 m-20 -106.46 104.38 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.68 -34.4 52.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.762 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 3.3 tt0 -44.36 -42.38 6.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -47.24 -34.67 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' LEU . 4.8 m -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' LEU . 19.3 t -73.11 -24.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.766 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -52.21 -10.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.766 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.0 OUTLIER 122.79 2.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.242 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.3 -111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.97 HD11 ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -30.79 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -149.82 154.67 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 107.973 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.559 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 17.0 m120 -82.99 106.32 6.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.812 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.4 Cg_endo -75.0 3.4 5.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.851 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 3.6 60.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.812 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.5 mm-40 -138.16 155.71 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.678 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -115.97 127.93 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.75 ' CD2' HD12 ' A' ' 70' ' ' LEU . 5.3 mt -105.97 124.23 49.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -124.98 122.13 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 m -145.19 130.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.68 ' HB2' HD12 ' A' ' 117' ' ' LEU . 11.7 m-20 -121.51 138.97 54.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.4 t90 -101.79 -65.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -5.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.95 ' N ' HD22 ' A' ' 115' ' ' ASN . 0.4 OUTLIER -103.33 -13.43 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 58.82 25.01 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.068 HD21 ' HB3' ' A' ' 11' ' ' PRO . 3.5 pp -133.49 142.04 48.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 110' ' ' TRP . 83.5 t -145.93 163.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 165.23 132.0 1.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 15.1 p-10 -85.19 172.67 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.557 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 86.63 147.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.622 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.07 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.557 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -63.69 -28.9 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.53 -45.17 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.96 -54.76 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -45.0 -51.78 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.541 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.15 -53.01 56.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 1.003 ' HB3' HD13 ' A' ' 129' ' ' ILE . 11.5 m-85 -82.27 -89.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.003 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.25 87.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.959 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.44 -157.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.959 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.1 mp0 -44.64 -16.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 1.036 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HA ' ' OD1' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 170.56 20.15 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 1.2 ttt85 -104.05 -56.07 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -93.2 114.73 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.061 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 12.3 mm -99.31 113.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -102.69 100.52 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -126.89 131.03 51.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.704 ' CD2' HD12 ' A' ' 109' ' ' LEU . 58.1 m-85 -98.0 158.19 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.013 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -109.74 145.21 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' HD21 ' A' ' 94' ' ' LEU . 3.4 t30 -134.23 51.02 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 1.024 ' HA ' HG23 ' A' ' 25' ' ' ILE . 10.7 t70 50.86 164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.152 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.66 -79.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . -146.34 -99.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -56.23 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.659 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -75.94 97.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.152 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.1 mm -39.62 -46.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.67 -61.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.841 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.37 -66.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.011 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -37.94 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.881 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.26 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.967 ' SG ' HG23 ' A' ' 46' ' ' ILE . 2.0 m -78.51 -56.84 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.841 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -33.75 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.6 mm100 -77.31 -48.01 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.947 HD21 ' HB ' ' A' ' 125' ' ' ILE . 2.0 tp -57.51 -56.16 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.927 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -66.52 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -60.36 -14.48 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 131' ' ' GLN . 1.2 m-20 -102.53 -87.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -164.35 171.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.632 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 85.4 p -129.93 171.56 12.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 171.14 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.592 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.658 ' C ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -13.17 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.678 ' CD2' ' O ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -89.85 165.37 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.32 122.82 46.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.927 HG11 HD21 ' A' ' 34' ' ' LEU . 23.5 t -92.73 128.24 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.722 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -97.53 116.39 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.967 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.1 mp -106.83 105.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -143.23 138.83 29.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.55 ' HA ' ' H ' ' A' ' 18' ' ' THR . 6.3 p30 -101.26 123.25 45.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.703 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.74 162.82 38.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CD1' ' O ' ' A' ' 92' ' ' MET . 27.0 p90 -72.67 111.86 12.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.752 ' HG3' HD11 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 61.28 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' PHE . 38.7 p -80.92 167.24 20.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 5.7 p90 -59.44 -26.88 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -58.37 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -84.05 -52.27 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.019 HD22 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.53 -27.25 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 3.6 tp60 -36.29 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.3 m-85 -64.49 -54.79 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.481 ' SD ' ' CG2' ' A' ' 118' ' ' VAL . 3.4 mmt -78.51 -26.45 45.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 3.5 ttt180 -51.5 -34.04 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -46.48 9.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -62.92 -13.95 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.92 134.94 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.532 1.807 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' CA ' HG22 ' A' ' 68' ' ' VAL . 90.6 mt-30 -91.33 12.78 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.565 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.66 -47.25 92.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.68 ' HB3' HD21 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 1.9 m -48.99 -27.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -72.23 -35.0 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.019 HD12 HD22 ' A' ' 56' ' ' LEU . 6.2 mt -73.69 -58.51 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.0 pt20 -54.23 -36.68 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.927 ' HD2' HD13 ' A' ' 77' ' ' LEU . 1.1 mmm-85 -79.73 -17.8 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -67.73 -40.41 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.704 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.14 141.0 57.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.52 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.01 57.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -176.45 34.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.33 -62.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.416 ' N ' HD23 ' A' ' 81' ' ' LEU . 20.5 t70 -40.13 -27.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.567 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -86.64 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.93 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.8 p -80.39 -42.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.859 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.21 -6.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -125.47 -86.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.647 ' C ' HG22 ' A' ' 86' ' ' THR . 0.1 OUTLIER 179.36 5.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -53.12 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.611 ' O ' ' CG2' ' A' ' 89' ' ' THR . 9.1 m-70 -37.25 -17.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.119 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.2 t -51.69 -16.33 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.162 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.0 OUTLIER -31.54 -145.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 1.162 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.01 25.68 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.4 t -88.57 -49.88 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.843 ' HE2' HD22 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.21 -22.69 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.39 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.841 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -14.98 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 111.009 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m-20 -119.94 98.54 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.017 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -85.41 -32.26 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.869 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -68.87 -57.77 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 100' ' ' ARG . 36.2 mmtt -44.48 -27.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.1 m -92.11 -39.05 11.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.672 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.1 t -76.14 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.733 ' CB ' HG21 ' A' ' 25' ' ' ILE . 10.3 mt-30 -51.64 -21.83 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 96' ' ' LYS . 1.3 tmt_? 177.6 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.598 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -178.08 -128.82 1.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.843 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -23.42 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.95 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 7.0 t90 -143.78 160.19 41.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.8 p30 -93.56 94.08 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.95 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -75.03 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.774 ' HG3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -165.86 39.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 9.6 mt-10 -122.04 156.46 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.639 ' HB2' ' CD ' ' A' ' 29' ' ' LYS . . . -134.32 148.9 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -113.74 119.34 37.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.061 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 8.6 t90 -105.66 135.25 47.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 118' ' ' VAL . 18.1 m -157.86 127.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.614 ' CG ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.69 149.62 27.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.4 ' CD1' ' HD2' ' A' ' 58' ' ' TYR . 1.6 t90 -121.04 1.41 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.5 mm-40 -87.86 -45.2 10.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.614 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 3.7 m-20 -111.19 17.56 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 52.93 52.05 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 128' ' ' TYR . 1.7 mt -111.6 145.52 39.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 111' ' ' VAL . 53.5 t -150.58 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . -163.64 162.75 35.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' HB3' ' OG ' ' A' ' 69' ' ' SER . 3.3 p30 -118.91 160.44 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 2.7 mt-10 70.25 166.21 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.715 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -41.37 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.31 -28.19 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.633 ' OD1' ' CD1' ' A' ' 128' ' ' TYR . 2.7 t0 -59.58 -48.14 82.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.947 ' HB ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.22 -56.95 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.622 ' HA ' HG22 ' A' ' 130' ' ' ILE . 2.4 t0 -45.65 -56.69 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 16.0 mmtp -57.37 -55.65 32.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.985 ' HB3' HD13 ' A' ' 129' ' ' ILE . 2.9 m-85 -70.19 -84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.05 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -129.91 95.48 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.791 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.6 OUTLIER -39.95 -116.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.627 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.7 mp0 -106.66 -37.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.752 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.1 ptp85 -99.05 -26.13 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.764 ' HD2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HG3' ' CD2' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 8.0 mtt-85 -135.04 -45.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 1.149 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 7.1 m -109.3 117.79 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.121 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 3.3 mm -92.7 110.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -106.77 102.24 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -129.18 128.45 43.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.668 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 4.7 m-30 -97.17 154.12 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.983 HG21 ' HA ' ' A' ' 26' ' ' LYS . 37.1 m -101.82 150.98 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.807 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 m120 -146.72 54.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 1.083 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 44.72 154.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -153.78 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -154.87 -130.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.0 t -30.24 -92.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.688 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -82.44 98.28 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.083 HG23 ' HA ' ' A' ' 20' ' ' ASP . 5.9 mm -43.05 -41.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.983 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -84.13 -60.65 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.778 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -55.86 -66.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 50.4 tp60 -38.56 -34.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.877 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -52.19 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 34' ' ' LEU . 4.2 t -92.72 -51.72 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.778 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 3.4 mm? -33.34 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.4 mm100 -81.51 -41.06 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.994 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.0 -46.79 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -80.41 -11.65 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.1 tptt -47.91 -19.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -57.88 -95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.55 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 3.6 m-20 -101.24 -172.32 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -166.0 164.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 2.1 m 167.76 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -111.24 129.94 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 178.05 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.925 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -158.7 161.54 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -105.01 114.75 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.925 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 2.1 t -86.21 120.22 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.772 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -99.96 113.57 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.772 HD13 ' C ' ' A' ' 45' ' ' GLU . 1.8 mm -109.5 104.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.37 136.1 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.602 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 1.8 p30 -90.96 122.59 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.4 tpt180 -158.32 159.19 35.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.48 129.69 89.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.14 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -59.1 146.5 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.442 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.929 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.01 -24.97 66.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -56.98 8.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -39.1 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.32 -25.24 65.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.599 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -41.52 -30.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.04 -53.36 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -70.11 -28.37 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.64 -37.99 66.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -76.24 -37.53 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -95.95 38.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -178.72 133.59 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 63' ' ' CYS . 18.3 Cg_endo -75.03 -29.48 8.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.627 ' CA ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -88.27 -15.96 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 20.08 -106.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 -36.09 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.627 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -47.0 -37.42 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -73.74 -34.25 64.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.4 mt -73.24 -54.12 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.76 -32.68 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.6 mmt180 -79.48 -18.8 51.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.696 ' OE1' HD23 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -66.98 -36.43 82.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.583 HD13 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -82.86 159.52 62.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.99 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.03 56.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.81 -65.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.529 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 p-10 -40.42 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 84' ' ' LYS . 9.4 t -83.62 -61.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.044 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.684 HG23 ' OG1' ' A' ' 86' ' ' THR . 11.0 p -80.43 -43.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.47 -6.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -123.19 -104.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.7 t80 -146.35 -6.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.816 ' O ' ' N ' ' A' ' 86' ' ' THR . 6.4 tttt -57.02 -134.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.787 ' CD2' HD21 ' A' ' 102' ' ' LEU . 32.8 m170 -29.34 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.945 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.74 -26.76 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -39.36 -156.51 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.04 19.86 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.65 -41.74 16.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' A' ' 94' ' ' LEU . 1.2 m-85 -107.13 -20.75 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.5 -170.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.56 -97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.519 ' H ' ' CG ' ' A' ' 92' ' ' MET . 6.3 m-20 -96.19 103.09 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.75 -30.1 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 1.5 tt0 -50.89 -27.55 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.621 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 46.9 mmtt -62.5 -28.69 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.662 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -98.38 -49.94 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.707 ' CG2' HD11 ' A' ' 94' ' ' LEU . 80.7 t -58.77 -32.96 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -39.05 -25.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 4.1 ttt180 154.03 -19.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -65.14 -160.76 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER 34.94 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.758 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -143.45 157.94 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -93.97 100.01 4.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.95 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.666 ' HE2' ' C ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -179.02 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 23.3 mt-10 -135.94 142.52 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.66 129.65 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.35 116.33 32.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 1.121 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 3.9 t90 -104.42 128.83 52.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 HG13 ' A' ' 118' ' ' VAL . 4.1 m -150.69 142.15 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.663 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -123.88 145.34 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 1.149 ' CZ2' HG21 ' A' ' 13' ' ' THR . 16.8 p-90 -122.05 12.99 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.962 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.631 ' OE1' ' CE3' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -95.03 -39.05 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 4.6 m-20 -112.41 0.37 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.603 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 72.43 40.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.785 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -112.77 143.19 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 59' ' ' MET . 76.3 t -147.84 158.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 159.23 113.41 0.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.668 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.18 123.39 35.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 161.62 157.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.84 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.791 ' HB1' ' HE2' ' A' ' 127' ' ' LYS . . . -74.72 -23.67 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.698 ' HB3' ' CE2' ' A' ' 128' ' ' TYR . 5.5 m-20 -55.66 -49.57 72.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.73 HG12 ' CD1' ' A' ' 110' ' ' TRP . 1.5 mt -49.58 -59.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.776 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.2 t70 -53.49 -44.75 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.791 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -60.78 -59.95 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.756 ' HB2' HD13 ' A' ' 129' ' ' ILE . 5.0 m-30 -70.04 -70.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.018 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -144.04 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.829 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -50.58 -170.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.829 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -42.25 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.87 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -158.15 82.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.702 ' C ' HG22 ' A' ' 129' ' ' ILE . 13.6 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.536 0.208 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 62.27 87.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.513 ' O ' ' CG2' ' A' ' 6' ' ' THR . 52.6 m-85 -156.87 171.79 19.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -84.81 -45.7 12.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 107.968 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.771 ' HE2' HG23 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -84.62 -16.22 42.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 3' ' ' PHE . 60.7 p 34.08 89.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -165.09 146.25 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.8 tt0 -94.03 144.36 25.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.44 88.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' HG2' HD23 ' A' ' 7' ' ' LEU . 22.5 mt-30 -88.57 137.24 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.661 ' HG3' ' CZ ' ' A' ' 128' ' ' TYR . 18.4 Cg_endo -74.98 -161.87 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -147.31 -53.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -91.38 114.95 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.036 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 19.7 mm -101.63 108.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 111' ' ' VAL . 14.9 m -95.25 107.02 19.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -109.19 131.28 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CB ' HD13 ' A' ' 109' ' ' LEU . 2.8 m-85 -102.24 156.29 17.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.674 ' HB ' ' CB ' ' A' ' 48' ' ' ASN . 4.4 m -103.87 143.73 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.763 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.0 m120 -152.4 57.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.948 ' HB2' HG13 ' A' ' 98' ' ' VAL . 11.5 t0 57.54 158.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.119 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -173.86 -93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HD12 ' A' ' 25' ' ' ILE . . . -132.18 -148.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -29.51 -84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -85.75 95.96 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.119 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -48.89 -32.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.65 -54.16 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.943 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -61.43 -64.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.927 ' HB3' HD12 ' A' ' 21' ' ' ILE . 41.3 tp60 -44.86 -28.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 1.028 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -59.31 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 1.018 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.93 -56.74 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.359 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -32.88 -49.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.804 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.3 mm100 -73.63 -35.67 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -61.17 -50.17 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.929 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.93 -14.85 62.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.5 tmtt? -62.99 6.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.62 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -84.36 -107.67 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' C ' ' HG3' ' A' ' 131' ' ' GLN . 11.3 t0 -60.17 -144.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -92.99 170.42 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.631 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 15.6 m -123.18 125.25 44.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.631 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.8 m170 151.74 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.583 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.607 ' HG3' ' N ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER 77.29 -44.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.151 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 4.4 p90 -133.82 168.61 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -100.65 121.63 41.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.151 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 t -93.17 139.21 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.675 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -118.56 118.43 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.018 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.6 mp -111.46 109.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -137.45 141.86 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.674 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.6 p30 -110.95 116.72 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.632 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -168.36 166.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.669 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 7.7 t80 -74.46 129.83 83.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.659 ' HD2' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 61.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 9.2 p -58.9 145.02 42.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.685 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.93 -23.41 67.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.007 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -58.43 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -32.92 25.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.685 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -67.68 -21.42 65.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -38.06 -33.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 51.8 m-85 -75.1 -45.4 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.726 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -73.9 -31.74 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -52.55 -30.55 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -83.51 -46.6 12.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.369 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -84.31 49.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -174.27 144.29 0.95 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.4 Cg_endo -74.99 -36.46 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -94.3 -16.92 23.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . 38.84 -106.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.573 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 -38.5 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.758 HG12 ' HG3' ' A' ' 72' ' ' ARG . 5.2 t -48.14 -37.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.427 ' HB3' ' ND2' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -63.75 -36.55 84.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.643 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 2.1 mm? -74.09 -60.72 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.858 ' HG3' HD23 ' A' ' 81' ' ' LEU . 1.2 pm0 -54.8 -33.09 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.758 ' HG3' HG12 ' A' ' 68' ' ' VAL . 2.0 mmt180 -78.67 -20.8 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -41.47 81.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.533 HD11 HG23 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -85.14 159.96 55.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -75.01 149.35 36.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 79' ' ' SER . 14.1 tttt 69.67 42.16 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -45.74 -61.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -40.19 -28.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.503 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -76.94 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.734 HG23 ' HB ' ' A' ' 86' ' ' THR . 4.9 p -78.43 -32.83 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD23 ' HG3' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -58.21 -10.82 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.549 ' HD3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -118.81 -101.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.674 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -139.65 1.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.715 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -62.05 -139.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.917 ' CG ' HD11 ' A' ' 102' ' ' LEU . 49.3 m170 -27.46 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.607 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.923 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.3 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.973 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -39.06 -157.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.973 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -75.01 19.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -90.9 -43.0 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.437 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 97' ' ' CYS . 1.5 m-85 -107.39 -24.24 11.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.669 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -37.35 -104.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -27.52 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.677 ' H ' ' HG2' ' A' ' 92' ' ' MET . 80.4 m-20 -103.76 104.44 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.61 -21.83 59.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 1.075 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.92 -27.91 67.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.619 ' C ' ' HG2' ' A' ' 99' ' ' GLN . 18.2 mmtp -65.18 -27.62 68.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 4.9 m -99.71 -47.87 4.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 20' ' ' ASP . 1.4 t -65.21 -28.04 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.665 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.64 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.637 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 156.31 -17.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.68 -134.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.917 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 0.38 -77.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.702 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -140.94 159.79 41.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 47.4 p-10 -106.85 84.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.702 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -74.99 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -152.09 47.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.511 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 3.0 mm-40 -113.3 146.25 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.593 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . . . -112.54 125.51 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -101.27 117.21 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.056 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.1 t-105 -114.29 120.07 39.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HG13 ' A' ' 118' ' ' VAL . 13.1 m -131.21 134.87 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.815 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 15.9 t0 -108.92 128.0 54.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.407 ' HZ2' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -107.68 5.25 26.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -93.8 -44.74 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 1.3 t30 -112.97 -3.42 14.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.625 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 71.6 38.75 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.854 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -108.68 117.72 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.047 HG13 HG12 ' A' ' 111' ' ' VAL . 40.9 t -126.99 155.7 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.426 ' O ' ' OD2' ' A' ' 124' ' ' ASP . . . -174.15 114.18 0.49 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 1.7 m-80 -69.66 90.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.52 ' CB ' ' OD2' ' A' ' 124' ' ' ASP . 0.3 OUTLIER 168.06 148.1 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.97 -23.31 13.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -26.64 58.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.52 ' OD2' ' CB ' ' A' ' 121' ' ' GLU . 47.6 m-20 -54.3 -32.93 57.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.681 ' O ' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -72.99 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.974 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -48.93 -44.36 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -61.21 -52.57 64.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.854 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.93 -72.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.056 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.47 94.07 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.002 HD13 ' N ' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -61.52 -164.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.861 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -50.65 -17.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.668 ' CD ' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -151.06 24.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 1.002 ' N ' HD13 ' A' ' 130' ' ' ILE . 37.2 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.473 0.178 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -154.8 131.45 10.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -165.35 90.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -38.95 20.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HG3' ' C ' ' A' ' 133' ' ' LYS . 1.4 mmmp? -73.56 -11.21 60.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER 44.27 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD11 HD11 ' A' ' 117' ' ' LEU . 2.9 tp -177.38 142.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -64.78 105.56 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 55.32 108.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.538 ' CB ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 pp0? -68.87 140.24 91.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.96 163.34 35.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -110.53 -56.32 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 40.1 m -91.31 112.8 24.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mm -100.48 112.44 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.682 ' HB3' HG12 ' A' ' 111' ' ' VAL . 13.2 t -98.82 104.61 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.939 HD11 HD11 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -111.52 149.06 31.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.657 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -116.76 159.36 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 25' ' ' ILE . 2.5 m -102.0 143.85 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.705 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 2.8 m120 -155.92 62.11 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.622 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 5.2 t70 56.05 160.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.356 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.217 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.15 -88.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' ILE . . . -139.11 -132.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.579 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 2.8 m120 -85.59 100.32 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.217 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -50.57 -34.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.768 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.86 -55.49 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.783 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -60.54 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.084 ' HB3' HD12 ' A' ' 21' ' ' ILE . 8.1 tp-100 -42.39 -33.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.966 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -47.88 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.77 ' SG ' HD22 ' A' ' 16' ' ' LEU . 79.2 m -96.71 -49.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.783 ' HB2' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -34.42 -44.92 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.702 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 34.3 mm-40 -80.31 -44.05 20.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -52.23 -43.38 64.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.028 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -82.57 -18.26 42.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.83 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.53 -54.31 23.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' NE2' ' A' ' 131' ' ' GLN . 35.5 m-20 -169.36 93.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG22 ' H ' ' A' ' 39' ' ' SER . 1.9 p -83.16 -176.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.667 ' H ' HG22 ' A' ' 38' ' ' VAL . 61.4 m -168.68 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 162.05 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -128.96 -17.08 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -156.88 167.98 28.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.49 126.16 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.028 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.5 t -97.6 140.12 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -120.86 116.53 25.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.869 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -109.55 113.9 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -136.53 143.51 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.563 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 1.9 p30 -111.74 114.87 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.712 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -171.48 163.39 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.09 117.01 44.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.862 ' C ' HD21 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.06 60.64 5.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.697 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -73.56 143.03 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.706 ' O ' ' N ' ' A' ' 57' ' ' GLN . 1.2 p90 -51.31 -21.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' THR . 34.7 t0 -42.54 -54.72 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.38 -59.36 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.862 HD21 ' C ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -52.67 -20.59 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.706 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -35.9 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.519 ' N ' ' O ' ' A' ' 56' ' ' LEU . 6.1 m-85 -67.25 -56.08 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.649 ' HE2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -77.04 -36.21 56.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -53.79 -24.66 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.87 -44.17 14.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.78 7.31 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.479 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -143.82 138.21 14.97 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.85 4.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -84.69 14.65 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . -29.3 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -31.54 6.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.561 ' O ' ' CG ' ' A' ' 72' ' ' ARG . 2.4 t -49.17 -31.58 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -78.48 -38.67 40.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 56' ' ' LEU . 3.1 mm? -73.11 -57.82 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 68' ' ' VAL . 14.1 pt20 -51.91 -45.04 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -70.08 -20.89 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.08 -38.15 78.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.074 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -84.83 164.74 40.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 163.13 35.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 51.66 70.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.882 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.75 -61.91 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.598 ' N ' HD23 ' A' ' 81' ' ' LEU . 21.5 t70 -41.95 -25.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.625 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.28 -61.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.074 HG11 HG22 ' A' ' 74' ' ' ILE . 13.8 p -79.93 -37.57 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.882 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.26 1.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 80' ' ' VAL . 1.8 tmtp? -127.53 -98.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.6 m-85 -148.05 -6.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 ttpp -59.33 -133.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.766 ' O ' HG22 ' A' ' 89' ' ' THR . 12.6 m-70 -31.15 -24.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.915 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -49.84 -30.78 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.971 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.29 -159.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.971 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.94 25.57 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.424 1.749 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -91.99 -43.12 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' HG ' ' A' ' 102' ' ' LEU . 1.7 m-85 -107.63 -28.83 9.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.628 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.79 -124.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.802 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -12.6 -61.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.589 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 10.7 p-10 -117.84 99.89 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.018 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -90.34 -53.02 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.963 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.01 -25.67 58.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.595 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 5.5 mmmm -69.67 -27.13 64.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -98.43 -39.33 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 108.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.759 HG23 HD11 ' A' ' 74' ' ' ILE . 2.3 t -78.87 -24.43 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -34.22 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 98' ' ' VAL . 12.4 ptm180 173.47 -31.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -64.39 -150.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.653 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 30.34 -92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.659 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -147.94 158.09 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -99.3 99.69 8.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.699 ' C ' ' HE2' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -75.03 -17.94 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.821 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 30.5 34.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.639 ' N ' ' O ' ' A' ' 105' ' ' PRO . 6.6 mt-10 -103.65 157.59 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' HB3' ' CA ' ' A' ' 122' ' ' PRO . . . -112.11 129.34 56.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.1 mm? -90.78 116.73 28.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.047 ' CZ3' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -109.55 122.37 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 107.989 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.03 HG22 HG12 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -148.24 133.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.73 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -125.86 132.83 52.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.69 7.52 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.4 tm-20 -91.28 -46.09 8.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -112.68 17.22 19.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 5.8 ptpt 52.81 41.55 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.804 HD11 HD11 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -110.32 146.22 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.03 HG12 HG22 ' A' ' 111' ' ' VAL . 21.3 m -150.83 165.02 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.537 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 167.59 144.04 4.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 20.8 p-10 -92.95 174.36 7.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.4 OUTLIER 77.46 148.95 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.521 ' CA ' ' HB3' ' A' ' 108' ' ' ALA . 18.4 Cg_endo -75.05 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.51 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -56.42 -29.08 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -56.94 -48.46 78.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -47.0 -55.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.81 ' HA ' HG22 ' A' ' 130' ' ' ILE . 1.2 t0 -47.3 -53.02 14.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.55 -47.69 63.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.847 ' HB3' HD13 ' A' ' 129' ' ' ILE . 82.7 m-85 -87.04 -85.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.047 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.77 92.09 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.81 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.6 pp -48.95 -161.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.663 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -50.98 -56.7 11.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.693 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -110.08 16.14 22.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.636 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.495 0.188 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -150.77 162.5 40.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -143.95 118.37 9.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -80.58 -44.28 19.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 108.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' CD ' ' NE ' ' A' ' 132' ' ' ARG . 2.6 mmtm -73.26 -11.08 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER 40.22 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -174.63 143.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tp-100 -39.48 -92.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -110.38 144.5 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.241 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 133' ' ' LYS . 7.8 pm0 -88.94 131.2 42.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.64 ' HG2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.03 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.762 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 8.6 ttt85 -142.76 -40.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 97.1 m -120.42 116.62 25.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.754 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 5.0 mm -104.16 124.86 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -95.83 100.89 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD21 ' HE2' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -112.39 119.44 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.796 ' N ' HD13 ' A' ' 16' ' ' LEU . 1.4 m-30 -98.47 156.07 16.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -99.37 139.11 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.662 ' HB2' HD21 ' A' ' 109' ' ' LEU . 1.1 t30 -139.12 40.7 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.924 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.8 t0 54.8 144.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.843 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -150.81 -65.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -143.75 -144.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.507 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -30.08 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.3 m120 -84.72 100.84 11.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.924 HG23 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mp -49.27 -41.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.813 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -81.85 -57.88 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.804 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.07 -65.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.791 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 52.2 tp60 -42.39 -35.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.827 ' HE2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.16 -83.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.6 t -95.39 -54.53 3.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 108.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -31.58 -45.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.791 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 11.4 mm100 -77.48 -46.31 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 3.2 tp -51.77 -52.07 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.008 HD21 HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -62.39 -29.92 70.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -65.94 -0.12 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -85.94 -86.48 1.01 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 t70 -68.87 -154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 37' ' ' ASP . 2.0 t -157.87 146.24 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.0 m 153.67 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.064 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 14.6 t60 -179.34 161.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 1.4 ptp180 157.32 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.001 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -135.8 172.11 13.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.627 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.52 128.0 44.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.008 HG11 HD21 ' A' ' 34' ' ' LEU . 39.4 t -89.59 135.79 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.6 mm-40 -108.21 109.21 20.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.918 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -115.33 99.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.43 133.02 22.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.527 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 0.9 OUTLIER -86.73 122.62 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.54 ' O ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.65 157.51 33.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.78 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.4 128.0 92.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 50.57 2.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.674 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.51 150.85 34.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.458 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 57' ' ' GLN . 1.7 p-90 -67.32 -24.96 65.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -60.42 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.82 -39.51 13.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.99 -23.67 65.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 17.7 tp60 -42.29 -43.21 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -55.47 -57.59 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.584 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 2.9 mmm -69.9 -30.8 68.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HA ' ' CA ' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -55.88 -37.0 68.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.48 71.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -99.66 69.43 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.693 ' SG ' HG12 ' A' ' 118' ' ' VAL . 0.1 OUTLIER 171.05 146.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.51 2.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -96.22 -4.34 42.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.604 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 18.09 -102.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 65' ' ' GLN . 3.7 p -42.71 -27.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.573 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -62.63 -48.57 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 70' ' ' LEU . 1.6 mm? -73.29 -52.15 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -47.96 -41.97 26.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.691 ' HA ' HD21 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -81.04 -18.5 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' CB ' ' A' ' 107' ' ' GLU . 0.5 OUTLIER -69.48 -43.74 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -79.96 164.35 53.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -74.98 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.1 OUTLIER 29.79 49.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.793 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -41.83 -64.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 14.0 t0 -41.13 -25.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.2 t -75.48 -63.09 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.931 HG23 ' OG1' ' A' ' 86' ' ' THR . 5.5 p -80.2 -32.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.926 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -61.31 -7.59 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -131.97 -96.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.625 ' C ' HG22 ' A' ' 86' ' ' THR . 72.8 t80 -166.11 9.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.721 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.3 ttpp -56.95 -149.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.596 ' O ' ' CG2' ' A' ' 89' ' ' THR . 0.1 OUTLIER -35.05 -22.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.107 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.9 t -54.46 -14.79 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.218 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.1 t0 -32.21 -142.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.218 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 20.62 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.2 t -81.29 -48.04 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 94' ' ' LEU . 5.7 m-85 -101.95 -18.8 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -48.13 -167.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.969 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 21.83 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.673 ' H ' ' HG2' ' A' ' 92' ' ' MET . 20.2 m-20 -105.14 101.85 11.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.74 -23.3 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.7 OUTLIER -53.69 -28.39 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.668 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 2.7 mmtp -62.13 -30.92 71.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.695 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 20.5 m -96.34 -49.17 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 94' ' ' LEU . 63.2 t -58.1 -33.96 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.692 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -42.19 -21.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.4 tmt_? 140.09 -12.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -59.92 -116.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -15.98 -82.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.838 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -146.67 152.13 38.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.009 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.0 p-10 -90.0 99.89 2.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.838 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.5 Cg_endo -74.97 165.84 30.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.631 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -145.0 43.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.574 ' CB ' ' HG3' ' A' ' 73' ' ' GLN . 5.4 mm-40 -128.88 156.15 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -117.31 142.7 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -110.96 112.16 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.634 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -111.53 134.19 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 110' ' ' TRP . 15.3 m -157.51 128.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 117' ' ' LEU . 27.8 t70 -111.47 146.84 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.1 t90 -122.75 6.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.541 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -89.36 -47.31 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.616 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -115.74 21.96 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 11.2 ptpt 53.6 54.49 9.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.37 138.23 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.693 HG12 ' SG ' ' A' ' 63' ' ' CYS . 71.4 t -149.5 144.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 175.43 143.27 4.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 69' ' ' SER . 0.9 OUTLIER -93.51 173.59 7.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.67 144.3 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 -42.48 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' O ' ' CE ' ' A' ' 127' ' ' LYS . . . -62.9 -26.43 68.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.634 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -56.49 -47.46 79.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -45.0 -52.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.855 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -50.97 -49.72 59.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -55.58 -57.9 10.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.904 ' HB3' HD13 ' A' ' 129' ' ' ILE . 69.9 m-85 -74.83 -83.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.92 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -128.78 91.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.855 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -53.22 -155.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.897 ' HA ' HD23 ' A' ' 34' ' ' LEU . 2.5 pt20 -53.61 -3.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.758 ' NE ' HD13 ' A' ' 130' ' ' ILE . 3.3 ppt_? -126.8 -169.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.92 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mtt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.49 0.186 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.43 104.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 m-85 -103.17 172.29 6.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -84.94 -39.08 18.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 130' ' ' ILE . 36.0 mmtm -71.99 -22.3 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 3' ' ' PHE . 69.8 p 34.84 -153.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER 76.16 111.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -43.11 168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' CG ' ' HD3' ' A' ' 116' ' ' LYS . 2.6 mpt_? 62.44 104.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -86.78 125.91 65.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.711 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.95 149.2 36.57 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -125.58 -45.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.6 m -121.98 119.55 31.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.865 HD13 HD21 ' A' ' 115' ' ' ASN . 3.8 mm -96.05 105.98 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -104.46 104.23 14.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.852 HD22 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -120.08 140.57 50.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.825 ' HB2' HD23 ' A' ' 109' ' ' LEU . 2.5 m-30 -105.86 163.53 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.786 HG23 ' HD3' ' A' ' 29' ' ' LYS . 4.2 m -100.12 141.58 32.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.664 ' C ' HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -147.87 35.49 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.96 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 t0 58.32 151.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.812 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -145.27 -79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -136.82 -134.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -34.31 -65.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 4.6 m-20 -101.77 140.75 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.96 HG23 ' HA ' ' A' ' 20' ' ' ASP . 2.4 mm -80.65 -46.26 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 1.8 ptpt -86.29 -48.79 8.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.74 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -54.3 -56.9 13.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.79 ' HB3' ' O ' ' A' ' 24' ' ' ASN . 46.8 tp60 -59.36 -46.02 89.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.985 ' CE ' HG23 ' A' ' 46' ' ' ILE . 31.5 ttpt -33.05 -96.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.852 ' SG ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -98.2 -41.03 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.298 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.74 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -37.95 -43.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 77.9 mm-40 -85.76 -34.17 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.94 -48.27 79.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.114 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -90.28 -7.25 53.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptp -49.13 -37.49 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.668 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -49.01 -95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 131' ' ' GLN . 2.5 m-20 -87.29 165.12 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.631 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER 178.62 143.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.631 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 4.1 p 148.46 132.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.5 m170 33.58 -132.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.593 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 10.6 mpt_? 63.44 -146.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -83.88 172.29 12.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.76 121.1 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.114 HG11 ' CD2' ' A' ' 34' ' ' LEU . 10.6 t -89.99 139.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -110.29 114.97 28.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.985 HG23 ' CE ' ' A' ' 29' ' ' LYS . 2.2 mp -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -139.5 141.25 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.598 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 11.1 p30 -100.92 119.89 39.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.629 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -169.25 158.61 8.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CA ' HD12 ' A' ' 94' ' ' LEU . 14.0 t80 -80.19 137.29 52.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.929 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.97 59.78 5.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 7.2 p -56.31 131.4 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.788 ' HA ' HD22 ' A' ' 56' ' ' LEU . 1.9 t-105 -51.39 -24.86 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.62 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -86.55 -31.13 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.961 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -59.34 -25.9 64.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.607 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -41.36 -34.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 42.1 m-85 -74.97 -44.44 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.546 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -71.15 -31.99 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.513 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -55.81 -43.43 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -46.8 72.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.25 46.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.497 ' SG ' ' HD2' ' A' ' 64' ' ' PRO . 13.1 t -178.38 134.7 0.32 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.249 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' SG ' ' A' ' 63' ' ' CYS . 18.2 Cg_endo -75.05 -32.39 5.36 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.694 ' CA ' HG22 ' A' ' 68' ' ' VAL . 31.2 mt-30 -94.99 -21.23 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 27.48 -100.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.973 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -47.09 -25.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -79.27 -41.1 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -78.61 -55.6 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.544 ' NE2' HD13 ' A' ' 81' ' ' LEU . 11.6 pt20 -53.22 -47.44 68.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.929 ' HD2' HD13 ' A' ' 77' ' ' LEU . 11.2 mmm-85 -72.73 -23.24 60.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.542 ' OE1' HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -63.14 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.766 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -86.76 138.53 33.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 18.3 Cg_endo -75.0 54.38 3.62 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 79' ' ' SER . 0.0 OUTLIER -173.95 30.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.929 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -45.32 -62.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' HD23 ' A' ' 81' ' ' LEU . 9.3 t0 -38.84 -31.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.576 ' CA ' ' HB3' ' A' ' 84' ' ' LYS . 38.6 m -84.76 -58.9 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.579 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.2 p -77.89 -52.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.784 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -46.87 -25.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 19.0 mmmt -99.0 -106.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -143.1 -6.73 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.35 -133.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.739 ' O ' HG22 ' A' ' 89' ' ' THR . 37.5 m-70 -26.92 -28.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.595 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.936 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.72 -29.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.942 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER -39.53 -157.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 21.74 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.42 -47.42 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 102' ' ' LEU . 2.1 m-85 -108.97 -25.15 10.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 50' ' ' PHE . . . -35.7 -101.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.748 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -29.95 -101.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.039 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.644 ' H ' ' HG2' ' A' ' 92' ' ' MET . 3.9 m-20 -103.18 105.43 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.898 HD13 ' H ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -74.66 -39.52 61.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.898 ' H ' HD13 ' A' ' 94' ' ' LEU . 1.4 tt0 -49.52 -29.95 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.64 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 13.0 mmtp -65.69 -28.2 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' LEU . 13.9 m -97.8 -48.0 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.87 HG13 ' HD2' ' A' ' 105' ' ' PRO . 2.3 t -64.21 -30.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.64 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -38.85 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' VAL . 13.7 ttt-85 174.52 -30.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -66.76 -167.87 2.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 36.33 -95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.289 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -147.26 153.21 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.441 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 19.0 p-10 -98.69 105.47 30.73 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.87 ' HD2' HG13 ' A' ' 98' ' ' VAL . 18.3 Cg_endo -75.0 -4.14 14.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.804 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 27.38 44.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 38.5 mm-40 -131.16 152.13 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.94 131.31 56.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.969 ' H ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -94.54 112.68 24.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.025 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -112.75 110.27 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.995 HG12 HG13 ' A' ' 118' ' ' VAL . 20.2 m -127.7 135.53 62.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.816 ' CG ' ' CZ2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -110.25 138.05 47.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.475 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -104.44 -83.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.52 -9.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.865 HD21 HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -97.67 -2.03 42.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HD3' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 46.07 35.76 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.824 HD13 ' CE2' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -136.56 151.16 49.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 111' ' ' VAL . 13.4 t -152.3 164.71 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 118' ' ' VAL . . . 171.45 110.45 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.746 ' ND2' HD12 ' A' ' 109' ' ' LEU . 5.2 t-20 -74.2 98.97 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.1 mt-10 157.62 154.11 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.708 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.06 -22.82 14.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.435 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -75.74 -31.41 59.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.616 ' CG ' ' CD1' ' A' ' 110' ' ' TRP . 10.6 t0 -52.25 -33.0 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -68.54 -56.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.829 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -56.6 -51.73 67.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -46.54 -51.01 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.824 ' CE2' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -92.51 -92.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.025 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -101.91 89.84 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.829 HG22 ' HA ' ' A' ' 126' ' ' ASP . 2.7 pp -45.56 -164.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.668 ' OE1' ' N ' ' A' ' 36' ' ' GLY . 12.8 mt-30 -51.17 -54.07 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.676 ' N ' HD12 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -125.88 90.27 3.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.68 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.181 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.7 94.57 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -158.05 69.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -78.72 -41.08 31.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -73.99 -47.51 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.541 HG23 HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -90.6 -159.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -143.05 -61.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' ARG . 2.7 tt0 -112.84 129.73 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER 59.41 147.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 133' ' ' LYS . 0.6 OUTLIER -81.36 127.29 74.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HA ' ' CB ' ' A' ' 115' ' ' ASN . 18.3 Cg_endo -74.97 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.54 -72.33 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.691 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 7.7 m -92.18 118.42 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.167 HG23 ' CH2' ' A' ' 110' ' ' TRP . 8.7 mm -95.69 112.65 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.13 98.75 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.934 HD22 ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -107.03 131.24 54.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 11.4 m-30 -103.8 150.21 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.699 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m -103.75 138.29 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 1.3 t-20 -136.02 39.86 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.906 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 56.65 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.085 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.94 -83.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -130.89 -124.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -40.21 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.757 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m-20 -82.41 102.71 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.085 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -42.34 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.68 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -80.41 -56.94 3.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.869 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.77 -69.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.034 ' HB3' HD13 ' A' ' 21' ' ' ILE . 57.1 tp60 -41.15 -32.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.937 ' NZ ' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.14 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 46' ' ' ILE . 4.2 m -94.13 -45.42 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.869 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -35.96 -40.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.642 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 25.7 mm-40 -82.01 -43.25 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.99 -43.07 73.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.157 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.94 -18.06 48.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.3 tttm -58.8 -11.84 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.49 93.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 14.1 m-20 -151.36 -170.79 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -157.86 164.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.525 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.3 OUTLIER 169.97 -162.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 119.7 14.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -179.32 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -150.23 161.88 41.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 1.9 m-20 -113.18 125.28 54.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.157 HG11 HD21 ' A' ' 34' ' ' LEU . 2.9 t -94.78 133.91 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -108.06 116.69 32.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.885 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -109.43 105.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.35 135.1 30.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 6.4 p30 -95.48 119.79 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 155.18 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.758 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.88 123.94 89.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.653 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.95 58.05 4.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.638 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -63.5 159.28 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.632 ' CZ3' ' HB2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -67.8 -25.91 65.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 108.01 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.5 -59.06 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.3 mt-30 -81.94 -43.02 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.025 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.68 -24.13 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.543 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -44.48 -31.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 24.1 m-85 -73.16 -55.95 5.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.842 ' HG2' HG11 ' A' ' 118' ' ' VAL . 0.7 OUTLIER -68.34 -29.91 68.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.493 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -51.11 -33.14 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.28 -43.93 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -56.32 -33.7 65.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.9 m -147.67 149.48 33.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.22 12.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.782 ' HA ' HG22 ' A' ' 68' ' ' VAL . 1.1 mp0 -81.18 10.12 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.594 ' HA3' HD21 ' A' ' 56' ' ' LEU . . . -33.61 -90.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.047 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.04 -43.75 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.566 1.824 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.782 HG22 ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -43.53 -33.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 70.2 p -78.71 -37.69 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.066 HD23 HD22 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -73.02 -56.95 4.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 2.0 mm100 -54.26 -43.28 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 1.025 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -74.33 -16.08 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 69' ' ' SER . 6.7 tp-100 -66.93 -40.5 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -79.9 140.77 54.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 18.3 Cg_endo -75.01 70.02 5.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG3' ' CE3' ' A' ' 103' ' ' TRP . 0.0 OUTLIER 167.21 37.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.025 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -48.27 -61.08 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 10.5 t0 -39.31 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.593 ' CB ' ' CD2' ' A' ' 85' ' ' HIS . 52.3 m -87.14 -59.13 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.698 ' HB ' ' CE1' ' A' ' 85' ' ' HIS . 14.7 p -78.23 -47.67 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.64 -12.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -116.24 -103.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.615 ' O ' ' O ' ' A' ' 84' ' ' LYS . 5.9 m-85 -152.18 -0.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.78 ' O ' ' N ' ' A' ' 86' ' ' THR . 5.5 tttt -54.32 -138.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -34.76 -18.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.074 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -47.35 -24.1 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.074 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -33.18 -156.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.006 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 22.08 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -78.66 -46.45 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 1.185 ' CD1' HD12 ' A' ' 94' ' ' LEU . 11.9 m-85 -107.69 -18.56 13.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.88 -171.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.94 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.77 -91.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 111.019 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.636 ' H ' ' HG2' ' A' ' 92' ' ' MET . 54.2 m-20 -102.97 101.82 11.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.185 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -75.38 -32.81 60.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.94 ' HA ' HG22 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -52.31 -27.26 14.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.659 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.3 mmmm -70.46 -21.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.814 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -95.13 -44.54 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.94 HG22 ' HA ' ' A' ' 95' ' ' GLN . 1.6 m -73.26 -28.54 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.719 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -36.52 -37.21 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.719 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 2.4 tpt180 160.62 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -135.97 -168.39 11.51 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 39.08 -121.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -107.64 156.02 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.496 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 5.5 m120 -78.45 109.49 10.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.62 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.97 -49.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 36.19 30.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 22.6 mm-40 -116.03 152.91 32.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.937 ' HB2' ' NZ ' ' A' ' 29' ' ' LYS . . . -114.73 142.1 46.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.066 HD22 HD23 ' A' ' 70' ' ' LEU . 14.3 mt -114.57 117.95 32.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.167 ' CH2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -109.79 115.81 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 107.989 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.663 ' N ' ' CE3' ' A' ' 110' ' ' TRP . 3.9 m -142.28 132.19 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.96 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -111.81 151.63 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.418 ' HE1' ' CB ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -111.92 -78.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 108.012 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.24 -11.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.744 ' ND2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -106.91 -13.03 15.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 1.2 ptmt 46.6 53.92 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.96 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 0.2 OUTLIER -145.78 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.842 HG11 ' HG2' ' A' ' 59' ' ' MET . 2.1 m -130.79 152.79 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 124' ' ' ASP . . . -166.54 117.24 0.73 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -54.1 160.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.45 152.25 0.14 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.568 ' CB ' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.02 -40.46 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.82 -28.06 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.459 ' OD1' ' CE2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -55.84 -42.83 76.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.727 HG13 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.04 -56.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.836 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.45 -55.92 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -50.38 -51.05 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.813 ' HB3' HD13 ' A' ' 129' ' ' ILE . 13.3 m-30 -81.78 -84.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.865 ' CD1' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -119.62 96.24 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.836 HG22 ' HA ' ' A' ' 126' ' ' ASP . 1.7 pp -52.13 -152.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -76.24 3.83 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.811 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -179.61 81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.812 ' CB ' HG22 ' A' ' 129' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.492 0.187 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -62.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -41.43 120.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.81 -47.52 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HD2' ' CD1' ' A' ' 130' ' ' ILE . 2.0 mmpp? -86.18 -32.35 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER 38.3 84.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.2 116.75 8.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' ARG . 2.1 tt0 -38.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 0.7 OUTLIER 60.1 123.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.88 138.42 27.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.524 ' CB ' ' OD2' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -75.04 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.609 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.19 -43.96 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 20.4 m -106.61 113.12 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.027 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 7.2 mm -96.93 110.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.54 ' HB3' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -94.0 97.78 10.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -106.83 125.07 50.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.761 ' N ' HD13 ' A' ' 16' ' ' LEU . 11.2 m-30 -99.11 152.44 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.746 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -104.73 135.68 45.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.728 ' H ' ' CE ' ' A' ' 29' ' ' LYS . 2.7 m120 -139.44 41.09 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.635 ' HA ' HG23 ' A' ' 25' ' ' ILE . 13.8 t70 71.25 160.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.151 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -164.26 -82.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . . . -151.46 -114.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.747 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.6 m120 -96.95 96.0 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.151 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -48.41 -40.19 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -82.99 -58.61 2.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.747 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -54.57 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.983 ' HB3' HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -39.95 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.83 ' HD2' ' HB2' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -51.84 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -91.94 -54.27 3.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.737 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.8 mm? -32.91 -42.81 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.843 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -81.13 -43.79 18.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.4 tp -54.06 -46.71 72.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.923 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -76.38 -18.52 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 5.8 tttt -57.98 -2.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -77.2 -62.07 2.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.55 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 74.2 m-20 -153.26 47.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.73 149.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . 7.4 m -137.23 -150.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -145.55 65.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.623 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -133.75 -1.34 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.983 ' CE2' HG22 ' A' ' 44' ' ' VAL . 1.4 p90 -158.61 163.04 37.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.83 119.04 38.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.983 HG22 ' CE2' ' A' ' 42' ' ' PHE . 24.0 t -92.98 134.91 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.685 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -118.13 115.22 24.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.83 104.49 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.54 138.31 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 9.3 p30 -92.85 118.47 31.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.13 158.15 11.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 90' ' ' PHE . 8.4 t80 -87.36 140.37 32.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 1.019 ' HB2' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 60.12 5.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 54' ' ' ASP . 66.4 p -57.77 141.47 48.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.902 ' HA ' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -46.03 -26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -58.74 -60.63 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -83.35 -52.87 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.902 HD22 ' HA ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -47.95 -24.87 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.594 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -44.47 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.234 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -76.09 -53.8 7.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.685 ' CE ' HG23 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -70.47 -26.22 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.28 -32.74 50.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -89.11 -44.27 10.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 m -54.62 -64.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.73 146.05 36.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.8 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' O ' ' N ' ' A' ' 68' ' ' VAL . 5.7 mt-30 -84.93 -18.97 32.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 33.94 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.2 t -44.44 -36.57 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 65' ' ' GLN . 3.6 m -76.3 -40.94 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.019 HD23 ' HB2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -72.48 -58.69 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -50.53 -35.3 28.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 7.5 mmt180 -78.8 -17.96 54.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.725 ' HG2' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.78 -39.46 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.83 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -63.46 173.36 1.26 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.83 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.95 -38.41 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.728 ' H ' HG23 ' A' ' 74' ' ' ILE . 12.6 mmtt -111.39 91.51 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.911 ' N ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.07 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.593 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.8 p-10 -44.56 -25.37 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -82.68 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.754 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.9 p -74.69 -40.36 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.899 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.2 -16.6 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -108.49 -104.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.712 ' C ' HG23 ' A' ' 86' ' ' THR . 1.1 t80 -141.19 3.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.691 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.53 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 1.089 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.8 m-70 -30.4 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.959 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -44.46 -30.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.991 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -37.98 -159.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.991 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 21.01 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.851 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -85.46 -41.61 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' O ' ' O ' ' A' ' 91' ' ' GLY . 14.8 m-85 -103.87 -21.45 13.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.75 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -45.91 -149.94 0.0 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.777 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 1.55 -69.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.698 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.5 m-20 -110.35 105.22 14.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.612 HD11 HG21 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -90.14 -51.83 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -48.79 -31.08 6.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 0.2 OUTLIER -59.94 -25.4 65.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.683 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 27.8 t -102.85 -48.13 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.612 HG21 HD11 ' A' ' 94' ' ' LEU . 2.6 t -72.92 -18.4 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.3 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 164.2 -25.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.01 -150.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.089 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 23.92 -96.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.67 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -142.04 152.32 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.955 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.85 102.41 13.37 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.843 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.843 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 25.3 45.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 105' ' ' PRO . 7.3 mt-10 -121.92 151.61 40.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.83 ' HB2' ' HD2' ' A' ' 29' ' ' LYS . . . -109.66 137.77 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 73' ' ' GLN . 5.1 mt -109.48 117.49 34.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.051 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 2.0 t-105 -107.0 120.44 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.711 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -143.38 132.49 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.79 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.7 t0 -115.45 141.93 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.607 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 17.2 t90 -117.77 1.63 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.609 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.6 mm-40 -88.73 -46.37 9.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 9' ' ' ARG . 9.2 m-20 -113.69 16.8 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 4.3 pttt 51.05 40.23 25.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.981 HD13 ' CD1' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -112.95 121.15 43.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.7 HG13 HG12 ' A' ' 111' ' ' VAL . 91.0 t -136.72 166.43 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 118' ' ' VAL . . . 172.88 125.59 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 p-10 -62.88 163.37 9.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.761 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 80.36 150.24 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.614 ' HB3' ' HB3' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.0 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -53.64 -24.85 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' HA3' ' A' ' 119' ' ' GLY . 3.0 t70 -52.85 -49.9 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.53 -53.78 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.954 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -45.79 -50.0 14.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -52.89 -48.52 67.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.981 ' CD1' HD13 ' A' ' 117' ' ' LEU . 78.1 m-85 -86.74 -84.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.051 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -121.48 90.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.954 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.1 OUTLIER -56.71 -159.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.843 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.38 -19.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.589 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -122.2 152.46 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 129' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -130.43 -75.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 61.31 127.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -84.32 -43.6 14.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 108.047 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CB ' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -85.23 -11.28 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 57.03 169.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' ' NZ ' ' A' ' 133' ' ' LYS . 3.6 tp 68.09 119.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -75.23 165.32 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.71 81.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.36 135.77 43.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 112' ' ' ASP . 18.3 Cg_endo -74.97 148.71 35.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 2.6 ttt85 -93.02 -51.41 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 m -91.15 114.4 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.733 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.9 mm -106.15 113.5 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -99.71 102.86 14.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD11 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -106.8 131.14 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' C ' ' HZ2' ' A' ' 29' ' ' LYS . 53.8 m-85 -102.73 150.11 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.3 m -103.56 140.85 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.589 ' OD1' HD21 ' A' ' 94' ' ' LEU . 5.2 m-80 -145.97 64.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.66 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 15.3 t70 56.15 161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.187 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -175.24 -90.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -135.54 -143.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 22' ' ' ALA . 7.0 t -33.55 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.675 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.1 m-20 -90.12 96.29 10.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.187 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -49.3 -33.56 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.05 -56.63 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.68 -66.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.008 ' HB3' HD12 ' A' ' 21' ' ' ILE . 40.9 tp60 -41.41 -31.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.962 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.87 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.78 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.8 t -92.38 -50.22 5.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.9 mm? -33.73 -40.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.721 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.9 mm100 -80.83 -42.44 21.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -56.9 -41.8 78.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD23 ' CB ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -81.6 -16.6 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.1 tptm -61.08 -7.24 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -165.93 112.43 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.586 ' OD1' HG21 ' A' ' 130' ' ' ILE . 4.0 t0 174.7 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.772 HG23 HD13 ' A' ' 130' ' ' ILE . 2.0 t -153.1 -145.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -101.79 -147.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.532 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -131.96 148.77 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.576 ' CG ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -152.33 -43.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.69 ' CD1' ' O ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -111.15 177.46 4.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.47 119.06 33.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 HD11 ' A' ' 46' ' ' ILE . 72.9 t -89.54 139.15 17.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -105.6 113.57 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.853 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -118.06 100.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.56 140.89 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 1.3 p30 -100.15 116.99 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' CA ' ' OE1' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -166.33 155.8 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.681 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -68.86 110.39 5.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.73 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.98 58.77 4.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.535 ' OG1' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.78 165.2 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.584 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -69.28 -22.88 63.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.35 -57.5 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -84.72 -52.76 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.022 HD13 HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -55.2 -19.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.584 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 tp60 -36.37 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' LEU . 33.8 m-85 -71.03 -51.25 26.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 112' ' ' ASP . 3.7 mmt -74.32 -38.26 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -53.33 -22.86 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -43.28 12.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -20.07 62.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -132.75 132.66 22.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.339 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.91 4.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.698 ' HA ' HG12 ' A' ' 68' ' ' VAL . 3.0 mt-30 -96.41 14.61 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -56.61 -52.83 47.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.703 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.98 -51.76 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.698 HG12 ' HA ' ' A' ' 65' ' ' GLN . 4.2 p -48.49 -30.81 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 1.3 t -69.04 -33.3 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.022 HD11 HD13 ' A' ' 56' ' ' LEU . 3.5 mt -75.63 -55.51 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.646 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.2 pt20 -59.77 -38.54 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.913 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -82.43 -16.91 47.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -65.23 -41.84 94.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -78.44 140.47 60.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.517 ' HG3' ' HA ' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -74.98 69.47 5.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 102' ' ' LEU . 1.3 tttt 170.79 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -46.01 -62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 1.8 t70 -43.92 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.522 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -85.3 -61.95 1.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.011 HG23 ' OG1' ' A' ' 86' ' ' THR . 9.2 p -83.85 -43.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.801 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.97 -5.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -125.25 -97.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.588 ' C ' HG22 ' A' ' 86' ' ' THR . 0.2 OUTLIER -168.81 6.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.9 ttpp -53.43 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.617 ' O ' ' CG2' ' A' ' 89' ' ' THR . 22.5 m170 -36.21 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.161 ' O ' ' O ' ' A' ' 87' ' ' ASP . 4.3 t -52.52 -17.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.161 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -29.2 -146.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.158 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.05 21.38 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.617 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 2.7 t -78.88 -50.93 10.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.883 ' HD1' HD12 ' A' ' 94' ' ' LEU . 45.2 m-85 -97.4 -20.31 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.796 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -44.65 -138.62 0.0 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.749 ' HE3' ' CA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -20.46 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.608 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.1 m-20 -115.94 101.53 8.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.989 HD23 ' OE1' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -88.05 -51.11 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.989 ' OE1' HD23 ' A' ' 94' ' ' LEU . 3.1 mm100 -54.38 -29.96 50.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 7.7 mmmm -65.56 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.807 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 32.2 t -98.34 -53.05 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 100' ' ' ARG . 0.2 OUTLIER -75.45 -12.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.763 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.45 -25.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.606 ' N ' ' O ' ' A' ' 98' ' ' VAL . 8.6 ttt180 156.32 -13.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -75.92 -150.51 3.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 29.78 -96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -141.5 154.04 45.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.12 106.44 7.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.721 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -26.9 10.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.808 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.37 32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.7 ' N ' ' O ' ' A' ' 105' ' ' PRO . 5.6 mm-40 -105.21 149.32 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.542 ' HA ' ' CD ' ' A' ' 29' ' ' LYS . . . -113.37 126.53 55.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 51' ' ' PRO . 7.5 mt -103.07 138.51 39.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.043 ' CE2' HD11 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.83 143.02 50.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 15' ' ' SER . 3.2 m -157.34 132.15 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -114.57 143.3 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.94 0.76 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 2.5 mm-40 -87.73 -49.15 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -117.17 15.0 14.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 18.9 pttt 51.34 60.55 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.612 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -126.49 117.28 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 111' ' ' VAL . 3.1 m -135.4 162.58 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA3' ' CE2' ' A' ' 128' ' ' TYR . . . 174.15 136.52 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.0 p-10 -80.23 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.553 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.28 144.21 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.788 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.553 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -62.54 -32.07 72.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' CG ' ' CE2' ' A' ' 128' ' ' TYR . 0.2 OUTLIER -57.52 -40.47 78.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.65 -57.11 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.778 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -41.76 -51.01 4.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -58.2 -57.3 13.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.454 ' CE2' ' CG ' ' A' ' 124' ' ' ASP . 12.5 m-85 -69.92 -79.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.043 HD11 ' CE2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -136.79 87.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.925 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.9 OUTLIER -26.61 -118.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.876 ' HG3' HD12 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -96.58 -60.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.718 ' HG3' HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -71.26 -67.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.731 ' C ' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.488 0.185 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 62.58 127.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.95 117.79 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -25.39 34.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.997 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 130' ' ' ILE . 3.8 mptt -88.75 -35.3 16.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.545 HG23 ' N ' ' A' ' 7' ' ' LEU . 9.7 t 36.32 -155.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.212 HD22 ' CD1' ' A' ' 128' ' ' TYR . 0.1 OUTLIER 75.67 172.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 7' ' ' LEU . 1.8 tt0 -52.28 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.1 130.65 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 -70.84 136.21 85.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.714 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -157.01 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' N ' ' HG2' ' A' ' 114' ' ' GLU . 28.6 mtt180 -143.56 -64.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -91.4 119.56 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.956 HD11 ' HG2' ' A' ' 133' ' ' LYS . 6.0 mm -92.99 110.95 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.914 ' O ' HG22 ' A' ' 111' ' ' VAL . 2.4 m -107.49 105.18 14.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -126.87 140.99 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.789 ' HB2' HD13 ' A' ' 109' ' ' LEU . 18.1 m-30 -106.55 163.25 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.647 HG23 ' HE3' ' A' ' 29' ' ' LYS . 6.3 m -99.41 144.41 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.639 ' HA ' HG11 ' A' ' 98' ' ' VAL . 1.0 OUTLIER -144.03 34.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.917 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.0 163.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.132 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -162.3 -87.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -123.61 -146.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -18.74 -76.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.782 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -94.21 149.12 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.132 ' O ' HD11 ' A' ' 21' ' ' ILE . 2.4 mm -79.0 -50.61 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -86.68 -51.29 6.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.777 ' HA ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -47.61 -50.75 23.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.08 ' HB3' HD13 ' A' ' 21' ' ' ILE . 8.7 tp-100 -70.1 -43.08 71.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.883 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -37.04 -97.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.82 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -97.94 -36.15 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.247 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.777 ' CB ' ' HA ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -43.46 -36.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.701 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 17.4 mm100 -86.38 -31.56 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . 1.6 tp -66.33 -48.44 70.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.658 ' CD1' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.21 -17.89 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.35 -19.65 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.75 -83.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' CB ' ' NE2' ' A' ' 131' ' ' GLN . 0.6 OUTLIER -103.53 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 39' ' ' SER . 2.6 t -148.06 164.65 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 132' ' ' ARG . 48.5 t 178.81 -145.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' N ' ' OG ' ' A' ' 39' ' ' SER . 3.2 t60 -158.54 103.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.627 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -149.63 -46.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.762 ' CE1' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -143.38 170.4 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.09 130.62 53.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.65 HG12 HD11 ' A' ' 46' ' ' ILE . 22.0 t -97.63 143.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.839 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -107.74 116.6 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.883 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 1.6 mp -115.64 105.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -138.12 139.24 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.623 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -99.95 115.43 29.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -172.44 165.33 5.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.026 ' CD1' HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -84.26 136.09 40.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 69.77 5.45 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -55.92 138.28 48.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' HA ' HD22 ' A' ' 56' ' ' LEU . 3.4 p90 -52.71 -27.22 16.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -50.56 -57.97 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 1.8 mt-30 -85.83 -50.74 6.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -51.14 -25.65 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.531 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -41.15 -27.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CD2' ' O ' ' A' ' 55' ' ' GLN . 31.6 m-85 -73.48 -51.09 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.5 ' HB3' HG11 ' A' ' 118' ' ' VAL . 3.4 mmt -75.08 -36.48 61.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -55.24 -22.76 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.06 -44.44 11.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 p -47.37 -38.84 13.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -136.28 155.01 77.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -32.53 5.26 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.727 ' HA ' HG22 ' A' ' 68' ' ' VAL . 4.0 mt-30 -95.29 11.88 30.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -54.84 -51.01 56.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.779 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.3 Cg_endo -74.96 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' A' ' 65' ' ' GLN . 3.6 m -48.47 -29.71 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 4.0 m -61.46 -32.27 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.744 HD23 ' CD1' ' A' ' 56' ' ' LEU . 3.2 mm? -76.84 -63.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.3 pt20 -53.95 -44.22 70.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.957 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -69.44 -19.53 63.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.505 ' HG3' ' CB ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -68.0 -38.69 82.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.78 HD13 ' HE1' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -80.32 141.67 53.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 18.5 Cg_endo -74.95 70.77 5.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' CZ3' ' A' ' 103' ' ' TRP . 0.1 OUTLIER 161.45 40.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -52.77 -60.44 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' N ' HD23 ' A' ' 81' ' ' LEU . 10.0 t70 -37.18 -28.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -88.14 -58.46 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.776 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 8.3 p -78.39 -46.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.97 -13.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -109.14 -107.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.693 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -139.32 3.48 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -58.72 -143.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.934 ' CG ' HD21 ' A' ' 102' ' ' LEU . 11.2 m-70 -35.79 -25.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.948 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -45.76 -26.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.384 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.052 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.6 -156.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.052 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.03 19.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.08 -40.85 17.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 1.206 ' CD1' HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -104.93 -22.19 13.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.57 -165.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.923 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 22.82 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 111.011 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.612 ' H ' ' HG2' ' A' ' 92' ' ' MET . 9.6 m-20 -107.36 106.03 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.206 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.07 -32.6 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.618 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 11.4 tt0 -47.31 -27.69 1.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 9.1 mmtt -62.75 -27.67 69.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.655 ' CB ' ' CE1' ' A' ' 90' ' ' PHE . 11.5 m -100.04 -49.2 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' HB3' ' A' ' 20' ' ' ASP . 25.6 t -62.71 -28.55 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.618 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -39.2 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 98' ' ' VAL . 16.7 ttt180 161.89 -26.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -70.29 -157.85 2.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.975 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 35.39 -98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.78 ' HE1' HD13 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -151.5 144.66 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.493 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 1.2 m-20 -87.39 109.08 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.741 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.1 Cg_endo -74.98 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.741 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 24.04 53.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 105' ' ' PRO . 11.7 mt-10 -145.13 155.45 43.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.09 127.54 55.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.789 HD13 ' HB2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -99.43 118.26 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.802 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.0 t-105 -109.85 140.02 44.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 107.967 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.914 HG22 ' O ' ' A' ' 15' ' ' SER . 4.4 m -152.38 134.74 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.726 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -113.21 137.99 50.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.24 2.98 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.043 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.613 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.4 tp10 -90.72 -53.71 4.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.685 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER -115.71 17.17 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.619 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 2.8 pttm 51.81 58.57 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.208 HD23 ' CZ ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -115.07 110.9 20.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 111' ' ' VAL . 6.4 m -135.95 146.94 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.84 144.41 9.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.8 p-10 -88.34 93.95 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 158.58 149.99 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.95 -33.93 4.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.97 ' HB1' ' HE3' ' A' ' 127' ' ' LYS . . . -62.87 -32.26 73.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -50.34 -34.54 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.712 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -64.26 -57.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.781 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -57.76 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.97 ' HE3' ' HB1' ' A' ' 123' ' ' ALA . 1.1 mptm? -42.67 -50.79 5.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 1.212 ' CD1' HD22 ' A' ' 7' ' ' LEU . 6.3 t80 -100.33 -90.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.814 HG22 ' HB3' ' A' ' 133' ' ' LYS . 0.8 OUTLIER -95.54 89.71 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 132' ' ' ARG . 2.8 pp -48.61 -157.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.62 ' CG ' ' HA ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -54.18 -65.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.8 ' HB2' HD11 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -34.53 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.956 ' HG2' HD11 ' A' ' 14' ' ' ILE . 15.5 tttp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.502 0.191 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.74 124.76 14.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' A' ' 3' ' ' PHE . 14.7 p90 -173.29 108.31 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -83.91 -42.7 16.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 6' ' ' THR . 4.5 mmmm -77.95 -11.64 59.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 5' ' ' LYS . 15.3 t 49.41 -160.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 81.63 133.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -45.98 94.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . 32.4 mtp85 61.52 137.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 2.9 pt20 -89.26 134.35 33.15 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.738 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.02 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -140.25 -51.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.975 HG21 ' CH2' ' A' ' 113' ' ' TRP . 29.8 m -99.78 111.3 23.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.944 HG22 ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm -100.89 115.15 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.9 OUTLIER -97.27 104.35 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.944 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -104.6 136.37 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -103.4 154.32 19.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.75 HG22 HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -104.73 140.31 38.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.624 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -149.61 63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 53.0 155.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.238 HD12 ' CG ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -168.31 -69.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.739 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -152.0 -127.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.673 ' C ' ' OE1' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -55.24 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.758 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 10.5 m120 -84.11 89.14 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.043 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.9 mm -43.27 -29.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.39 -45.26 26.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.811 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 t -65.84 -71.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.238 ' CG ' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -39.53 -34.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.765 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -47.08 -87.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.631 ' O ' HD12 ' A' ' 34' ' ' LEU . 45.6 m -95.16 -47.63 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.4 mm? -36.9 -38.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.896 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 6.3 mm100 -78.75 -46.11 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' CD1' ' OE1' ' A' ' 131' ' ' GLN . 5.6 tp -51.8 -43.12 62.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.958 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -78.86 -20.21 50.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -0.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -94.43 -74.98 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.84 -166.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.794 HG13 ' N ' ' A' ' 39' ' ' SER . 2.8 p -164.24 -145.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.794 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.0 m 94.62 106.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -46.15 121.96 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HB3' ' C ' ' A' ' 133' ' ' LYS . 2.5 mmt85 -151.1 -99.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.858 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -93.73 174.75 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.07 120.74 39.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.958 HG11 HD21 ' A' ' 34' ' ' LEU . 33.2 t -87.84 126.73 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -111.23 115.79 29.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.81 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -107.67 109.92 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -135.51 145.99 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.583 ' HB3' ' CB ' ' A' ' 18' ' ' THR . 9.0 p30 -120.55 118.7 30.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -168.31 163.64 12.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CD1' ' O ' ' A' ' 92' ' ' MET . 0.8 OUTLIER -71.76 114.53 29.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' HG ' ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 14.8 p -57.68 146.76 29.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.743 ' HA ' HD22 ' A' ' 56' ' ' LEU . 48.8 p90 -55.13 -24.01 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 107.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -45.97 -63.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -88.33 -30.72 19.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.963 HD23 ' C ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -62.99 -23.7 67.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -45.65 -49.69 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.3 -54.27 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.769 ' HE3' HG12 ' A' ' 111' ' ' VAL . 3.9 mmt -65.84 -28.78 69.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -55.69 -41.91 74.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -39.25 80.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -84.38 51.39 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.06 145.66 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -35.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -88.83 -18.91 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 60' ' ' ARG . . . 33.71 -99.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.91 ' HA ' HD11 ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 -42.14 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t -45.86 -38.82 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -41.49 95.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 109' ' ' LEU . 2.9 mm? -72.94 -55.38 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 81' ' ' LEU . 2.4 mm100 -51.0 -32.28 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -78.79 -20.95 48.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -68.1 -40.04 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.061 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -80.8 163.03 57.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.512 ' CG ' ' HB3' ' A' ' 103' ' ' TRP . 18.1 Cg_endo -75.01 144.18 29.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.48 56.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.828 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -46.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LEU . 4.3 p-10 -40.49 -28.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.531 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 1.3 p -77.85 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.061 HG11 HG22 ' A' ' 74' ' ' ILE . 9.3 p -75.68 -32.32 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.1 tm? -59.73 -13.61 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.77 -103.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.592 ' CA ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -135.67 3.91 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -61.79 -141.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 89' ' ' THR . 2.0 m170 -30.53 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.892 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -48.76 -30.83 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -40.85 -158.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.945 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.08 26.11 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.88 -45.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.813 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.1 m-85 -106.83 -28.58 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -45.41 -101.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.763 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.51 -46.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.3 OUTLIER -128.64 102.34 6.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.22 -47.89 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 1.051 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -67.48 -25.18 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.587 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.744 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 47.8 t -98.66 -35.21 10.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.775 HG23 ' CE1' ' A' ' 90' ' ' PHE . 6.3 t -80.69 -26.62 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.76 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 172.35 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -58.25 -165.83 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 90' ' ' PHE . 1.5 tt 37.64 -95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.612 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.7 OUTLIER -145.99 140.11 26.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 107.99 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.439 ' CB ' ' OD2' ' A' ' 20' ' ' ASP . 2.7 p30 -85.58 107.64 13.23 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.828 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -14.56 21.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.828 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 31.78 44.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 1.8 mm-40 -116.28 159.46 21.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . . . -111.89 128.64 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 70' ' ' LEU . 1.9 mm? -94.15 117.0 29.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.866 ' CH2' HD11 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -105.65 130.22 53.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.026 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -157.07 131.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 110' ' ' TRP . 5.1 t70 -128.48 142.3 51.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.975 ' CH2' HG21 ' A' ' 13' ' ' THR . 12.4 p-90 -125.77 18.35 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.62 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -92.02 -46.95 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.617 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.3 m-20 -116.8 21.17 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.617 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 19.6 pttt 54.6 53.33 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' CD1' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -131.07 141.29 50.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.02 HG13 HG13 ' A' ' 111' ' ' VAL . 95.6 t -148.63 169.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.616 ' CA ' ' CD1' ' A' ' 110' ' ' TRP . . . 176.92 151.08 8.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.1 p-10 -93.78 155.16 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.447 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER 81.39 156.35 0.12 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.02 -41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.92 -26.65 15.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.63 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -55.84 -49.67 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -49.27 -54.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.693 ' HA ' ' CB ' ' A' ' 130' ' ' ILE . 1.1 t0 -50.85 -46.72 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.545 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -51.82 -55.16 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.743 ' CB ' HD13 ' A' ' 129' ' ' ILE . 20.4 m-30 -87.76 -81.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.866 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -119.71 87.34 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.903 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.67 179.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.903 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -54.8 2.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.797 HH21 HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -167.37 71.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.672 ' HB2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.498 0.19 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 84.4 p -138.84 91.77 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 2' ' ' SER . 12.3 m-85 -152.19 58.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -40.8 20.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.046 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' CB ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -77.53 -41.19 40.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' HB ' ' CE ' ' A' ' 133' ' ' LYS . 7.3 t -98.28 152.72 19.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.771 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -114.48 -16.75 11.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' HB2' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -179.49 89.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 0.1 OUTLIER 65.81 132.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 4.7 pt20 -89.25 128.26 52.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HG3' ' OH ' ' A' ' 128' ' ' TYR . 18.5 Cg_endo -75.0 -158.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -142.5 -43.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' CB ' ' OE1' ' A' ' 114' ' ' GLU . 39.4 m -103.28 114.54 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 16' ' ' LEU . 6.0 mm -101.97 113.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -99.95 106.15 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 14' ' ' ILE . 2.5 mm? -110.99 126.04 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.916 ' CD2' HD21 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -99.69 133.32 44.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.911 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.1 m -91.89 144.6 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' PRO . 59.8 t30 -140.91 54.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.792 ' C ' HG13 ' A' ' 21' ' ' ILE . 21.1 t70 64.57 168.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.039 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 179.17 -91.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.617 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -138.93 -135.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 22' ' ' ALA . 53.2 m -33.02 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.711 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -87.18 92.89 9.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.005 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.84 -36.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.6 -58.42 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.945 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -60.61 -67.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.862 ' HB3' HD12 ' A' ' 21' ' ' ILE . 33.0 tp60 -40.05 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 1.039 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -69.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.669 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 m -79.83 -57.09 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 108.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.945 HD23 ' HA ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -33.1 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 31.1 mm-40 -79.19 -50.32 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -54.08 -49.51 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD21 HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -71.0 -17.19 62.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.0 tttp -59.89 -6.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -66.89 -59.8 6.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' NE2' ' A' ' 131' ' ' GLN . 63.0 m-20 -159.14 74.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -90.5 176.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER 177.12 -46.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 39' ' ' SER . 0.1 OUTLIER 162.32 -99.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 109.662 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.78 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.2 mmp_? 63.94 -64.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -138.13 175.48 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.65 116.35 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 46' ' ' ILE . 98.8 t -91.65 136.23 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.717 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -105.97 113.9 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.876 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.3 mp -112.81 101.4 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.65 143.77 39.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 7.7 p30 -104.86 116.59 32.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.809 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -165.87 155.44 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 94' ' ' LEU . 35.7 t80 -73.77 136.26 77.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.05 65.62 6.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.502 HG22 ' HD2' ' A' ' 50' ' ' PHE . 33.0 p -58.96 143.38 48.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 1.6 m95 -55.1 -27.02 41.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 108.032 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -58.82 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.43 -51.61 6.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.775 HD13 ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.04 -23.85 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.546 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -42.54 -26.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.0 m-85 -67.95 -51.93 41.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.636 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.4 mmt -75.54 -29.81 59.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.01 -39.87 66.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.53 -45.97 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.1 m -56.85 -46.96 81.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -127.12 139.57 35.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.14 4.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.711 ' HA ' HG12 ' A' ' 68' ' ' VAL . 1.2 mt-30 -97.06 13.08 30.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.642 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -58.92 -41.49 96.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.97 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.711 HG12 ' HA ' ' A' ' 65' ' ' GLN . 3.0 p -47.42 -30.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -67.27 -37.01 82.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -76.37 -53.85 7.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.49 -37.79 40.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.921 ' HD2' HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -82.01 -17.4 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.606 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -64.48 -33.82 76.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.776 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -84.71 141.67 38.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.3 Cg_endo -75.01 59.69 5.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 178.21 37.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.921 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.3 -61.5 1.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' LYS . 6.6 t70 -40.63 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.524 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -87.07 -58.1 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.915 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 7.7 p -81.15 -43.28 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.857 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -55.95 -5.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -127.67 -97.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.624 ' C ' HG22 ' A' ' 86' ' ' THR . 10.7 m-85 -168.94 8.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.732 ' O ' ' N ' ' A' ' 86' ' ' THR . 4.1 ttpp -55.48 -153.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.632 ' O ' ' CG2' ' A' ' 89' ' ' THR . 18.4 m-70 -36.96 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.108 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.3 t -53.44 -16.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.112 ' HB2' ' HD2' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -31.88 -141.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.112 ' HD2' ' HB2' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.07 19.26 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.632 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.1 t -80.0 -49.53 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 1.132 ' CD1' HD12 ' A' ' 94' ' ' LEU . 8.5 m-85 -102.0 -27.84 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -44.67 174.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.81 ' HE1' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 37.01 -78.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.019 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -112.37 102.91 11.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.132 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.54 -30.31 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.65 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -45.24 -27.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -66.11 -32.09 73.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.663 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 16.7 m -97.18 -49.88 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.649 HG23 HD11 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -57.19 -33.37 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.675 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -41.44 -24.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.591 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 149.75 -16.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.722 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -56.96 -161.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 26.99 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.877 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -140.72 151.19 44.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 0.9 OUTLIER -86.98 99.92 1.34 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.877 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.06 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.716 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 172.81 32.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 20.3 mm-40 -107.06 149.63 27.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -128.89 129.23 45.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.916 HD21 ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -122.9 127.86 49.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.711 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 3.9 p-90 -101.66 138.46 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' SER . 13.7 m -148.68 115.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.522 ' CB ' ' OH ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -99.26 150.24 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 7.1 t90 -123.23 6.0 9.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -88.2 -46.25 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.573 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 12.3 m-20 -113.76 19.41 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 9.6 ptpt 53.04 53.87 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.942 HD13 ' CE1' ' A' ' 128' ' ' TYR . 2.0 mt -113.78 139.15 49.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 59' ' ' MET . 17.1 t -148.32 155.14 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.99 113.51 0.31 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 7.7 p-10 -68.85 -175.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER 77.8 146.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.555 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.06 -41.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.24 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.711 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 1.6 t0 -59.2 -42.77 91.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.767 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.19 -51.97 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.905 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -49.21 -53.72 20.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 32.9 mmtt -57.67 -55.94 28.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 129' ' ' ILE . 2.9 t80 -67.88 -81.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.949 HG13 ' CD2' ' A' ' 128' ' ' TYR . 1.2 pp -137.61 92.7 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.905 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -54.91 -163.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.783 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -53.72 -50.44 65.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.827 ' HG3' HD11 ' A' ' 130' ' ' ILE . 2.9 ptp180 -103.2 57.38 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.797 ' HG3' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -147.32 -65.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 60.54 131.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -71.47 -46.99 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 107.999 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.758 ' CG ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -86.71 -47.92 8.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER 60.19 126.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.437 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -179.36 -173.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -108.41 92.27 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 64.1 123.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -69.91 134.23 87.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.06 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' H ' ' CB ' ' A' ' 114' ' ' GLU . 48.6 mtt-85 -134.96 -68.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.5 m -89.79 118.6 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.939 HG23 ' CZ3' ' A' ' 110' ' ' TRP . 5.6 mm -98.21 110.94 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.679 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -100.69 103.36 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.051 HD21 HD11 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -115.97 146.86 41.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.642 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 96.4 m-85 -123.73 150.87 43.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.855 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.2 m -99.07 139.8 34.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.7 t-20 -144.52 64.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.881 ' HB2' HG13 ' A' ' 98' ' ' VAL . 9.7 t0 55.73 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.129 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -177.85 -91.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -137.93 -139.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.3 m -31.31 -92.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.677 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 31.2 m120 -82.54 101.44 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.129 ' O ' HD11 ' A' ' 21' ' ' ILE . 11.6 mm -47.83 -35.48 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.809 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -82.62 -58.49 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.746 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -57.43 -66.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.98 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.8 tp60 -39.93 -32.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 1.007 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -55.18 -82.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.782 ' SG ' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -93.71 -53.65 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 108.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.746 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 2.6 mm? -33.35 -42.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.767 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 10.0 mm100 -81.69 -30.85 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -69.95 -51.38 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.942 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -77.25 -9.93 59.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -50.94 -14.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -68.34 -77.23 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 131' ' ' GLN . 1.5 m-20 -120.07 173.84 6.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -178.85 158.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.619 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 2.7 t 149.28 167.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' SER . 13.1 m80 -37.52 105.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.54 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HG3' ' HD2' ' A' ' 132' ' ' ARG . 0.2 OUTLIER -158.15 -66.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.685 ' CD2' HG13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -162.21 169.07 21.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -98.15 119.05 36.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.942 HG11 HD21 ' A' ' 34' ' ' LEU . 12.9 t -93.93 126.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -101.19 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.5 mp -108.98 105.16 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.642 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -140.63 136.82 33.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.525 ' HA ' ' HB ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -92.41 117.42 29.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' C ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -167.67 161.17 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HA2' ' A' ' 91' ' ' GLY . 10.3 t80 -72.81 133.44 82.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 62.21 5.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 1.06 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.3 p -59.88 128.29 36.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.744 ' O ' ' N ' ' A' ' 57' ' ' GLN . 4.7 m-90 -61.88 -16.69 52.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.82 -56.29 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.33 -42.81 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.06 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.2 -18.17 65.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.744 ' N ' ' O ' ' A' ' 53' ' ' TRP . 20.5 tp60 -39.17 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' LEU . 23.1 m-85 -71.09 -52.77 17.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -76.5 -35.42 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -54.73 -23.95 20.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -86.92 -44.96 11.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -67.74 -19.39 65.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -127.0 132.65 24.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.317 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.87 4.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.659 ' HA ' HG22 ' A' ' 68' ' ' VAL . 8.8 mt-30 -95.74 12.09 31.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.557 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.88 -47.36 91.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.107 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.4 Cg_endo -75.0 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 65' ' ' GLN . 4.2 m -48.29 -29.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 6.0 t -67.05 -33.81 76.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 56' ' ' LEU . 1.9 mt -75.52 -52.79 9.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -38.36 87.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.835 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.9 mmm180 -80.66 -16.32 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -68.87 -40.76 79.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.632 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -74.02 166.6 43.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.656 ' HB2' ' CE3' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -74.93 -64.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.12 59.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.892 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.97 -60.5 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.34 -27.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.535 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -78.6 -59.31 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.97 HG23 ' OG1' ' A' ' 86' ' ' THR . 8.5 p -79.03 -30.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -59.77 -9.37 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -132.35 -88.33 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.679 ' C ' HG22 ' A' ' 86' ' ' THR . 3.2 t80 -173.87 9.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.741 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -55.25 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.2 m-70 -36.42 -18.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.125 ' O ' ' O ' ' A' ' 87' ' ' ASP . 6.4 t -52.47 -15.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.203 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 0.8 OUTLIER -31.12 -143.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.203 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -74.99 18.7 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.605 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.3 t -79.49 -49.77 11.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 1.029 ' CD1' HD12 ' A' ' 94' ' ' LEU . 2.4 m-85 -100.47 -21.45 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.749 ' HA2' ' CD2' ' A' ' 50' ' ' PHE . . . -44.94 -174.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.895 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 28.88 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.64 ' H ' ' HG2' ' A' ' 92' ' ' MET . 1.4 m-20 -108.53 102.25 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.029 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.18 -27.32 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.78 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 36.2 tp60 -48.15 -31.17 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 19.2 mmtp -62.1 -35.1 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.645 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.0 m -88.3 -26.46 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 20' ' ' ASP . 65.8 t -75.8 -16.22 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.78 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 1.8 mm-40 -46.22 -12.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.77 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 122.91 10.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -90.41 -122.94 2.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD12 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER 2.31 -79.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.808 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -143.61 165.0 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -103.57 86.16 1.1 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.808 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.99 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -157.76 39.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 19' ' ' ASN . 4.1 mm-40 -119.79 152.58 37.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -115.0 142.88 46.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.14 132.62 51.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.939 ' CZ3' HG23 ' A' ' 14' ' ' ILE . 2.7 t-105 -128.77 122.61 30.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.84 HG12 ' HB ' ' A' ' 118' ' ' VAL . 34.6 m -140.2 131.02 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.754 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -112.69 133.93 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.69 3.85 25.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.55 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 10.6 tp10 -91.05 -52.62 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.679 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 0.7 OUTLIER -116.95 18.24 14.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 51.81 54.79 10.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 112' ' ' ASP . 2.6 tp -114.58 111.5 21.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.84 ' HB ' HG12 ' A' ' 111' ' ' VAL . 2.8 m -136.75 165.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.42 5.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 9.8 p-10 -83.91 160.7 21.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.2 OUTLIER 86.88 151.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 121' ' ' GLU . 18.4 Cg_endo -74.94 -41.06 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.46 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.757 ' O ' ' CD2' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -53.63 -40.91 66.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 1.051 HD11 HD21 ' A' ' 16' ' ' LEU . 1.4 mt -54.66 -58.21 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.977 ' HA ' HG22 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -47.68 -43.55 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -47.47 -55.73 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.757 ' CD2' ' O ' ' A' ' 124' ' ' ASP . 0.7 OUTLIER -91.47 -76.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 125' ' ' ILE . 1.3 pp -119.96 95.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.977 HG22 ' HA ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -59.92 -158.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.618 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.4 mp0 -53.51 -44.97 69.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.734 ' O ' HD11 ' A' ' 130' ' ' ILE . 6.4 tmm_? -112.19 93.94 4.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.695 ' HD2' HG22 ' A' ' 129' ' ' ILE . 1.9 tmtp? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.521 0.2 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -135.98 105.09 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -93.78 60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -81.3 -50.02 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HG3' ' C ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -86.34 -12.66 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.87 127.46 35.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -163.29 131.46 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ARG . 1.4 tp60 46.33 -160.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -35.81 138.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.87 127.11 92.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.616 ' CB ' ' HB3' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.0 148.67 35.59 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.546 1.814 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 0.2 OUTLIER -120.39 -88.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.747 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 18.3 m -90.57 120.66 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.718 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.1 mm -96.99 121.78 47.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.8 105.08 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 110' ' ' TRP . 1.3 mm? -108.08 139.14 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.604 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.4 m-85 -111.8 158.21 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 29' ' ' LYS . 1.8 m -106.08 141.0 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.57 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 m-80 -148.78 71.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER 51.15 163.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.193 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER 179.99 -98.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -143.46 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.646 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.5 t 15.68 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.634 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -90.31 98.35 11.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.193 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.66 -31.05 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.7 -56.96 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.792 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 1.3 m -55.77 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.031 ' HB3' HD12 ' A' ' 21' ' ' ILE . 6.1 tp-100 -45.15 -30.95 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.993 ' CE ' ' HB2' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -52.02 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 m -95.12 -50.57 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' A' ' 27' ' ' SER . 3.0 mm? -34.51 -40.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.723 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 5.5 mm-40 -79.69 -44.86 20.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.907 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -52.81 -41.3 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.013 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.63 -23.55 49.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -8.8 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.25 -50.79 3.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HB2' ' CG ' ' A' ' 131' ' ' GLN . 21.6 m-20 -106.42 -100.11 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.78 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' HD2' ' A' ' 132' ' ' ARG . 1.5 p -176.06 168.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.624 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 87.4 p -128.59 153.99 46.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.638 ' O ' ' C ' ' A' ' 41' ' ' ARG . 3.6 m170 172.07 -98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.738 ' CG ' ' O ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -14.64 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 44' ' ' VAL . 3.5 p90 -106.24 165.72 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.56 132.2 48.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 42' ' ' PHE . 36.5 t -87.88 137.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -104.67 113.07 26.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.854 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -112.8 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.75 137.21 31.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.646 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -103.94 116.84 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -165.56 155.59 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CE2' ' OG1' ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.32 110.17 6.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.675 ' HB2' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.99 60.98 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.728 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.12 145.45 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.917 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -59.89 -25.65 65.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -45.84 -59.64 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' ' HD1' ' A' ' 58' ' ' TYR . 1.2 mt-30 -86.17 -41.17 14.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -51.19 -20.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -39.22 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.816 ' CE2' ' CE2' ' A' ' 113' ' ' TRP . 8.1 p90 -71.66 -45.4 62.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.722 ' SD ' HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -76.8 -33.22 58.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.655 ' HB2' HD11 ' A' ' 56' ' ' LEU . 15.9 ttt180 -55.8 -20.08 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.349 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 -45.98 9.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -62.99 -11.76 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.055 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.635 ' HB2' HG22 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -161.48 141.5 7.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -29.63 8.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.614 ' HB3' HG12 ' A' ' 68' ' ' VAL . 3.6 mt-30 -96.73 11.38 35.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -47.31 -53.17 12.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.861 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 -49.03 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.993 HG22 ' HD2' ' A' ' 72' ' ' ARG . 0.3 OUTLIER -48.96 -31.34 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -67.79 -34.33 76.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.6 mt -73.54 -46.8 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.719 ' NE2' ' CZ3' ' A' ' 53' ' ' TRP . 4.3 mm-40 -65.53 -42.85 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.993 ' HD2' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -73.95 -18.34 60.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.77 ' HG3' HD22 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -64.88 -41.91 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.834 HG23 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -64.29 173.05 1.63 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.834 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 -41.47 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.644 ' H ' HG23 ' A' ' 74' ' ' ILE . 3.6 mtpt -109.46 87.84 2.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.871 ' N ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -67.75 -61.1 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -40.95 -27.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.523 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.35 -61.58 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 86' ' ' THR . 7.1 p -79.14 -31.86 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -57.95 -15.49 9.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -114.54 -100.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.654 ' C ' ' CG2' ' A' ' 86' ' ' THR . 1.1 t80 -142.7 4.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.685 ' O ' ' N ' ' A' ' 86' ' ' THR . 3.4 tttt -63.42 -139.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 1.02 ' CD2' HD11 ' A' ' 102' ' ' LEU . 8.6 m170 -28.56 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.911 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.35 -29.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.997 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -39.59 -158.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.997 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.97 20.69 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.38 -43.93 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.388 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.846 ' CE1' HG23 ' A' ' 98' ' ' VAL . 9.4 m-85 -104.59 -20.66 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.752 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.35 -140.44 0.0 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.772 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -17.39 -50.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.646 ' N ' ' O ' ' A' ' 91' ' ' GLY . 2.1 m-20 -115.69 104.65 11.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -91.64 -54.97 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.738 ' O ' ' N ' ' A' ' 99' ' ' GLN . 60.7 mm-40 -52.87 -27.93 20.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.605 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 2.1 mmmm -59.44 -29.87 68.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.701 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 42.2 t -104.09 -41.54 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.846 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.3 t -75.73 -16.12 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 95' ' ' GLN . 1.6 pt20 -35.28 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 98' ' ' VAL . 10.4 tpt180 158.07 -21.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -64.07 -148.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 29.35 -94.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.697 ' HB3' ' CG ' ' A' ' 75' ' ' PRO . 1.1 m95 -141.63 153.13 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.1 p30 -86.38 108.82 19.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.5 Cg_endo -75.01 -32.37 5.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.19 30.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 105' ' ' PRO . 28.9 mt-10 -113.97 153.84 28.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.993 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.26 133.7 55.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.77 HD22 ' HG3' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -91.58 115.26 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.82 ' CZ2' ' CE2' ' A' ' 128' ' ' TYR . 5.9 p-90 -102.74 119.39 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 15' ' ' SER . 4.0 m -145.41 130.64 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.817 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -122.74 142.17 51.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.816 ' CE2' ' CE2' ' A' ' 58' ' ' TYR . 2.0 m95 -98.14 -95.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' HB2' ' A' ' 113' ' ' TRP . 29.0 mt-10 -46.64 -14.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.817 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -87.75 -4.99 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER 44.43 38.69 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -138.21 123.6 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.722 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -143.84 159.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.571 ' HA3' ' NE1' ' A' ' 110' ' ' TRP . . . 169.97 -167.3 40.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 7.9 t30 -128.56 163.65 24.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.562 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.0 mt-10 91.87 143.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.75 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.64 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.57 -39.89 74.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.603 HD11 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.64 -55.44 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.815 ' HA ' ' HA ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -52.14 -45.95 65.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.553 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -50.99 -60.4 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.82 ' CE2' ' CZ2' ' A' ' 110' ' ' TRP . 36.3 m-85 -79.15 -71.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -132.94 97.46 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.854 HD12 ' H ' ' A' ' 132' ' ' ARG . 0.5 OUTLIER -43.65 -125.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.677 ' NE2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -104.9 -24.94 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.854 ' H ' HD12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -125.85 -7.26 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.928 ' HB2' HG22 ' A' ' 129' ' ' ILE . 4.2 tptm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.46 0.171 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER 173.61 143.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 2' ' ' SER . 38.1 m-85 -167.19 171.55 10.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -76.97 -47.16 21.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HD3' HG13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -82.67 -19.91 37.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 8.8 t 38.08 -148.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.855 HD12 HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER 90.06 123.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' ARG . 25.1 tp60 -43.12 139.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 59.08 134.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.21 129.04 53.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HB2' HD11 ' A' ' 14' ' ' ILE . 18.3 Cg_endo -75.04 138.42 22.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.584 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 8.1 mtt180 -111.31 -49.3 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.599 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 31.0 m -123.89 117.92 25.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 11' ' ' PRO . 6.4 mm -93.2 108.75 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.569 ' CB ' HG12 ' A' ' 111' ' ' VAL . 19.5 m -102.53 96.19 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD23 HG22 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -102.96 143.49 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 70.8 m-85 -121.11 153.44 37.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.915 HG22 HG22 ' A' ' 25' ' ' ILE . 1.2 m -97.35 141.76 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.649 ' OD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -146.62 74.41 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 21' ' ' ILE . 6.2 t0 67.23 -179.16 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.95 HG21 ' HB3' ' A' ' 28' ' ' GLN . 0.6 OUTLIER 167.15 -76.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.832 ' N ' HG22 ' A' ' 21' ' ' ILE . . . 170.45 -105.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 t -66.0 -66.04 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.647 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.9 m-20 -113.28 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.94 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 2.2 mp -58.84 -41.26 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -72.25 -53.62 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.92 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -61.31 -70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.95 ' HB3' HG21 ' A' ' 21' ' ' ILE . 2.7 tt0 -42.71 -40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.844 ' HA ' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -42.36 -82.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -98.26 -52.85 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -32.25 -44.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 12.3 mm-40 -79.0 -44.65 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.8 HD13 HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -51.93 -44.45 63.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.902 HD21 HG21 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.1 -19.24 47.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' GLN . 10.4 tttt -59.04 -12.23 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.12 -90.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB3' ' NE2' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -92.71 -161.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 39' ' ' SER . 0.7 OUTLIER -141.84 153.69 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER 173.29 -146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.565 ' C ' ' HG2' ' A' ' 41' ' ' ARG . 0.8 OUTLIER 158.75 117.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' C ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -171.44 -36.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -106.35 171.4 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.37 122.85 47.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.902 HG21 HD21 ' A' ' 34' ' ' LEU . 9.6 p -102.18 140.94 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -123.53 114.33 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 46' ' ' ILE . 3.0 mp -111.77 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.82 137.58 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' H ' ' A' ' 18' ' ' THR . 10.6 p30 -91.78 123.04 34.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.6 mmt-85 -162.38 159.77 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.729 ' CB ' ' HB3' ' A' ' 94' ' ' LEU . 54.0 p90 -80.87 112.7 34.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.778 ' HG3' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.07 68.13 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -61.99 151.08 36.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.775 ' HA ' HD22 ' A' ' 56' ' ' LEU . 9.5 p90 -68.45 -23.96 64.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.03 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -56.69 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.86 -42.73 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.854 ' CD1' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -57.53 -23.23 49.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.0 OUTLIER -42.63 -27.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' LEU . 14.3 m-85 -74.09 -54.98 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.802 ' HB3' HG21 ' A' ' 118' ' ' VAL . 1.6 mtt -71.84 -33.42 68.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' HA ' ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -50.89 -38.01 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -73.49 -42.59 61.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.117 . . . . 0.0 110.346 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.7 p -86.32 15.09 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.1 t -139.46 135.64 17.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 108.239 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.31 3.17 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.837 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -80.82 -22.74 39.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 60' ' ' ARG . . . 35.45 -119.78 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 18.3 Cg_endo -74.99 -34.75 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -46.81 -30.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.48 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 0.2 OUTLIER -74.74 -45.92 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.854 HD23 ' CD1' ' A' ' 56' ' ' LEU . 2.4 mm? -69.16 -48.7 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 67' ' ' PRO . 13.8 mm-40 -60.04 -52.51 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' CG ' ' O ' ' A' ' 68' ' ' VAL . 5.5 mmt180 -59.48 -21.32 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.51 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 2.2 tp-100 -73.07 -38.24 66.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.992 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -81.95 164.33 49.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.573 ' CG ' ' CB ' ' A' ' 103' ' ' TRP . 18.2 Cg_endo -75.04 131.51 14.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 80' ' ' VAL . 12.2 tttt 79.44 63.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.843 ' N ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -56.44 -62.1 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.617 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 4.9 p-10 -44.54 -25.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -83.4 -61.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.992 HG11 HG22 ' A' ' 74' ' ' ILE . 7.2 p -75.47 -38.91 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -55.08 -16.13 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' C ' HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.25 -106.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.657 ' C ' ' CG2' ' A' ' 86' ' ' THR . 5.6 m-85 -135.38 3.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.735 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -62.21 -143.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.954 ' CG ' HD11 ' A' ' 102' ' ' LEU . 28.4 m170 -27.84 -32.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.92 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -46.77 -27.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.92 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -40.18 -157.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.913 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 26.54 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -94.37 -43.1 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 74' ' ' ILE . 13.8 m-85 -105.38 -29.92 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 50' ' ' PHE . . . -47.38 -105.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.789 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -30.67 -51.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.717 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -127.14 101.32 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.01 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -102.0 -23.02 14.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.859 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -71.45 -63.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 100' ' ' ARG . 10.2 mmmm -48.94 -21.85 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.65 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -89.57 -54.51 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.849 ' CG2' HD11 ' A' ' 74' ' ' ILE . 29.3 t -77.4 -60.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.764 ' HG3' ' CB ' ' A' ' 95' ' ' GLN . 28.4 mm-40 -45.24 -19.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 176.02 85.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . 161.57 171.81 28.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.954 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER 46.26 -92.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CB ' ' CG ' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -142.98 154.77 44.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 107.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.45 ' HB3' ' CG ' ' A' ' 20' ' ' ASP . 6.0 m-20 -101.8 105.67 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.788 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.93 -7.86 19.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.788 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 35.7 54.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 9.7 mm-40 -139.83 158.56 43.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.76 136.32 51.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.778 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.48 135.77 33.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.674 ' CE3' ' OD1' ' A' ' 112' ' ' ASP . 13.9 p-90 -125.96 118.02 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.944 HG23 HG13 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -134.6 133.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.733 ' HB3' ' ND2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -129.94 133.31 46.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.644 ' C ' ' H ' ' A' ' 115' ' ' ASN . 0.1 OUTLIER -102.05 -77.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -0.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.733 ' ND2' ' HB3' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -110.94 -12.06 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 5.9 ptmt 51.83 36.2 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.07 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -135.58 120.78 18.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.944 HG13 HG23 ' A' ' 111' ' ' VAL . 47.6 t -133.14 168.88 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.613 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 160.22 165.2 16.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.647 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 16.1 p-10 -118.61 114.14 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.756 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 148.36 145.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.727 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.98 -30.62 7.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.478 ' HB1' ' CE ' ' A' ' 127' ' ' LYS . . . -66.59 -26.95 67.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.643 ' OD2' ' CD1' ' A' ' 110' ' ' TRP . 56.6 m-20 -56.24 -51.81 66.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.8 HG21 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.31 -54.28 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.706 ' HA ' HG22 ' A' ' 130' ' ' ILE . 4.7 t70 -51.19 -56.33 13.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -52.83 -51.25 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 1.07 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 1.1 t80 -82.16 -87.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -116.12 91.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.892 ' O ' ' O ' ' A' ' 129' ' ' ILE . 1.8 pp -41.52 -133.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.695 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.82 -55.93 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.94 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -151.94 116.57 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.54 ' O ' ' CD ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.473 0.177 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -142.2 73.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' ' 6' ' ' THR . 0.9 OUTLIER -38.4 115.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.62 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CB ' ' HG3' ' A' ' 133' ' ' LYS . 1.7 mmpt? -72.1 -25.65 61.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 3' ' ' PHE . 37.3 p 45.85 100.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 174.5 97.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -46.04 165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER 32.03 87.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 1.6 pt20 -79.65 134.76 57.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.539 ' HB3' ' HB2' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.617 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 7.5 ttt-85 -144.26 -54.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' HD13 ' A' ' 14' ' ' ILE . 53.7 m -93.95 112.7 24.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.789 HG23 ' OD1' ' A' ' 112' ' ' ASP . 2.7 mm -100.89 112.81 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB3' HG12 ' A' ' 111' ' ' VAL . 14.9 t -98.69 100.63 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.963 ' CD2' HD11 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -103.84 134.41 47.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CB ' HD13 ' A' ' 109' ' ' LEU . 30.5 m-85 -104.01 154.18 19.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.65 ' HA ' ' HG3' ' A' ' 29' ' ' LYS . 1.8 m -97.3 143.31 28.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.598 ' OD1' HD11 ' A' ' 109' ' ' LEU . 1.2 m120 -149.25 39.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.961 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.5 t0 54.54 154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.044 HD13 ' HB3' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -162.71 -41.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' ' 25' ' ' ILE . . . -172.8 -133.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ALA . 5.6 t -36.41 -89.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.723 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -81.94 101.19 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.997 ' O ' HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -44.45 -46.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.724 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -78.62 -63.26 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.811 ' C ' ' HB2' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -49.24 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.044 ' HB3' HD13 ' A' ' 21' ' ' ILE . 5.2 tp-100 -40.48 -32.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 1.066 ' NZ ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.81 -81.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.644 ' O ' ' N ' ' A' ' 33' ' ' LEU . 1.9 t -93.17 -53.19 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.811 ' HB2' ' C ' ' A' ' 27' ' ' SER . 2.7 mm? -32.95 -36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.861 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 9.3 mm100 -82.35 -42.68 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER -58.6 -45.73 88.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.937 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -75.23 -18.67 60.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 54.5 tttt -56.77 -12.05 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -74.35 -92.52 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.787 ' O ' HG23 ' A' ' 38' ' ' VAL . 22.4 m-20 -78.68 -167.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 37' ' ' ASP . 2.1 t -165.57 152.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER 170.16 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 41' ' ' ARG . 11.3 p-80 -122.89 -111.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER 76.3 -69.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -155.5 175.96 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.12 139.12 34.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.937 HG11 HD21 ' A' ' 34' ' ' LEU . 92.5 t -90.06 142.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.786 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -98.97 116.79 32.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 ' NZ ' ' A' ' 29' ' ' LYS . 2.1 mp -117.72 97.91 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.686 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -146.7 143.55 28.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.55 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 5.2 p30 -85.49 123.57 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.0 tpt180 -132.85 152.07 51.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.726 ' HA ' ' CB ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -79.86 141.2 54.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.01 59.28 5.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 1.049 ' O ' HD22 ' A' ' 56' ' ' LEU . 52.8 p -100.83 128.37 46.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.614 ' O ' ' N ' ' A' ' 57' ' ' GLN . 21.9 p90 -71.84 -19.79 61.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 57' ' ' GLN . 37.1 t0 -50.65 -57.46 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HB3' HD13 ' A' ' 56' ' ' LEU . 8.6 tp60 -82.18 -51.02 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -61.03 -13.85 19.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 53' ' ' TRP . 5.5 tt0 -36.68 -30.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.9 t80 -64.81 -56.15 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.823 ' HB3' HG21 ' A' ' 118' ' ' VAL . 3.6 mmt -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CG ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -58.97 -39.98 83.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.431 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -65.77 -44.96 84.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 p -87.63 43.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -175.28 138.68 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 108.319 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -92.26 11.02 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.632 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -12.39 -94.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 60' ' ' ARG . 18.4 Cg_endo -74.98 -28.37 9.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG12 ' HD3' ' A' ' 72' ' ' ARG . 14.0 t -43.98 -52.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 21.4 m -63.94 -27.87 69.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.971 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -70.81 -53.41 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -65.43 -54.84 22.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.682 ' HD3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -55.14 -22.62 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 69' ' ' SER . 2.8 mm100 -69.61 -42.03 74.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.826 HG21 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -66.81 169.89 7.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.0 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 21.9 mmtt -89.01 56.45 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.883 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -52.51 -63.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.622 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 9.6 t70 -39.49 -28.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -82.08 -59.08 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 74' ' ' ILE . 5.2 p -75.81 -24.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.883 ' N ' ' O ' ' A' ' 77' ' ' LEU . 5.3 tp -63.39 4.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.622 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -140.4 -102.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.68 ' C ' ' CG2' ' A' ' 86' ' ' THR . 92.1 m-85 -136.21 1.12 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.657 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.95 -139.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.891 ' CG ' HD11 ' A' ' 102' ' ' LEU . 34.7 m170 -31.05 -31.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.916 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -47.38 -29.14 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.916 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -38.74 -160.53 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.907 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.99 25.04 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -96.34 -42.19 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.701 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -105.53 -28.78 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.629 ' C ' ' HE2' ' A' ' 92' ' ' MET . . . -49.65 -116.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.718 ' CE ' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -25.35 -48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.635 ' N ' ' HG2' ' A' ' 92' ' ' MET . 0.0 OUTLIER -122.18 101.84 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.03 HD13 ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -93.43 -56.18 3.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 1.03 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -55.54 -29.38 58.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 15.1 mmmt -61.84 -28.48 69.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.684 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 4.2 m -96.47 -47.09 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 94' ' ' LEU . 2.7 t -63.01 -33.09 58.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.645 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.31 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 152.55 -20.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -54.45 -107.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.891 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -28.7 -79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.679 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -143.59 158.36 43.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 18.6 p-10 -105.25 91.48 4.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.98 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.817 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -150.06 59.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -141.18 150.18 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -113.53 126.26 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -94.37 128.67 41.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.844 ' CZ3' ' CE2' ' A' ' 128' ' ' TYR . 18.5 p-90 -106.41 142.34 36.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -158.46 127.37 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.789 ' OD1' HG23 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -128.95 140.62 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.679 ' CG ' ' HE1' ' A' ' 59' ' ' MET . 0.4 OUTLIER -115.37 12.51 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.617 ' HG2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -91.43 -46.65 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.2 OUTLIER -113.14 20.1 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 53.12 41.81 32.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.14 HD13 ' CE1' ' A' ' 128' ' ' TYR . 0.5 OUTLIER -109.73 130.36 55.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 111' ' ' VAL . 24.5 t -144.26 150.82 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 174.6 -162.0 31.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 73' ' ' GLN . 10.9 p-10 -137.45 -175.6 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 2.2 tt0 77.94 142.02 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.851 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -74.99 -32.91 5.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.439 ' O ' ' HD3' ' A' ' 127' ' ' LYS . . . -67.6 -27.66 67.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.734 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -54.72 -47.2 74.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.963 HD11 ' CD2' ' A' ' 16' ' ' LEU . 6.5 mt -50.75 -53.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 2.3 t0 -50.45 -54.27 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -60.41 -55.83 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 1.14 ' CE1' HD13 ' A' ' 117' ' ' LEU . 1.4 t80 -66.39 -79.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.878 HG13 ' CG ' ' A' ' 128' ' ' TYR . 1.1 pp -144.17 85.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.923 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -43.15 169.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.923 ' N ' HG12 ' A' ' 130' ' ' ILE . 5.8 pt20 -36.71 -45.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.875 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -73.82 -60.62 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.892 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 160.35 174.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.982 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 39.94 58.81 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.69 -45.69 15.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.774 ' CE ' HD12 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -69.99 -44.96 68.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.856 HG21 ' CD ' ' A' ' 11' ' ' PRO . 19.6 p -133.16 107.08 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -38.26 -46.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -144.9 129.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.528 ' CB ' ' OD1' ' A' ' 115' ' ' ASN . 0.8 OUTLIER 59.88 134.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.603 ' HA ' HG21 ' A' ' 6' ' ' THR . 6.2 mp0 -92.57 128.61 43.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.856 ' CD ' HG21 ' A' ' 6' ' ' THR . 18.3 Cg_endo -75.01 -158.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -146.74 -41.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 ' H ' ' CG ' ' A' ' 114' ' ' GLU . 49.9 m -109.11 117.08 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.669 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.0 mm -99.31 114.2 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG22 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.22 99.73 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD21 ' SG ' ' A' ' 30' ' ' CYS . 3.4 tp -118.94 124.7 47.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 1.3 m-30 -96.73 153.29 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.885 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -105.81 144.09 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.525 ' O ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -141.35 71.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.782 ' C ' HG13 ' A' ' 21' ' ' ILE . 10.3 t70 50.12 170.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -179.54 -97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -131.27 -144.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' O ' ' A' ' 22' ' ' ALA . 1.6 t -24.1 -84.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.992 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.73 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -89.43 94.83 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.866 ' C ' HD11 ' A' ' 21' ' ' ILE . 1.3 mp -42.33 -36.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.885 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -85.43 -60.61 1.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.73 ' CB ' ' HB3' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -54.41 -68.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.862 ' C ' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -43.51 -26.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.934 ' N ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -57.4 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.994 ' SG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -95.27 -50.97 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 108.328 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.734 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.1 mm? -36.61 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.77 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 21.5 mm-40 -79.83 -49.46 11.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 122' ' ' PRO . 3.5 tp -59.28 -48.87 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.026 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -74.49 -12.94 60.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -55.01 -11.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' A' ' 131' ' ' GLN . . . -60.85 -100.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -91.98 -173.66 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 1.0 OUTLIER 171.99 157.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.2 p 156.19 171.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -36.79 131.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.574 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.761 ' CG ' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tpm_? 175.0 -144.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.761 ' CE1' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -93.24 173.82 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -95.6 129.71 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG12 ' C ' ' A' ' 133' ' ' LYS . 0.7 OUTLIER -95.47 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.743 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -109.52 116.13 31.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.994 HG23 ' SG ' ' A' ' 30' ' ' CYS . 6.0 mm -113.97 101.39 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -142.8 141.27 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -106.59 119.81 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 ptt180 -163.8 158.85 20.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CD2' ' C ' ' A' ' 91' ' ' GLY . 0.2 OUTLIER -68.44 110.44 5.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.4 Cg_endo -75.0 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.592 ' OG1' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -58.54 155.31 12.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' N ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -60.15 -24.05 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -62.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.6 -36.61 20.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.65 -18.02 61.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -41.94 -27.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.243 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 20.7 m-85 -62.71 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.941 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -78.28 -31.33 48.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.768 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.07 -28.5 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -89.48 -46.58 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.376 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.7 m -61.96 -27.58 68.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -130.93 141.7 42.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 27.1 tt0 -96.95 10.9 37.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.618 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -46.7 -50.99 13.5 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.669 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.04 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 65' ' ' GLN . 3.2 t -48.56 -31.46 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 0.8 OUTLIER -62.02 -32.0 72.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.704 HD21 ' HG ' ' A' ' 56' ' ' LEU . 1.1 mm? -75.83 -52.47 10.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.49 -39.09 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.73 ' CD ' HD21 ' A' ' 77' ' ' LEU . 1.4 mmm180 -82.16 -20.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -74.49 -40.4 61.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.234 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -78.3 165.82 47.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.516 ' CB ' ' HB3' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.93 177.7 8.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB3' ' CB ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 39.31 62.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.842 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.02 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.54 -25.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -77.55 -59.55 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.994 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 74' ' ' ILE . 6.4 p -82.93 -33.14 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.891 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -54.54 -5.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -127.4 -92.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.573 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.1 OUTLIER -165.84 13.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.722 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.56 -150.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.658 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.2 m80 -35.57 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.627 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.064 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -51.11 -18.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.113 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -34.15 -143.49 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.113 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -74.99 19.37 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.485 1.782 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -79.11 -49.07 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.107 . . . . 0.0 110.368 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.738 ' O ' ' O ' ' A' ' 91' ' ' GLY . 20.3 m-85 -97.07 -19.87 18.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.738 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -46.9 -147.34 0.0 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.701 ' CE ' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -4.47 -65.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.651 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.8 OUTLIER -110.41 106.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.648 HD22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -90.11 -54.05 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.643 ' O ' ' CB ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -50.33 -25.69 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.1 mmmm -66.58 -28.08 68.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.72 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -100.33 -41.31 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.61 HG21 HD11 ' A' ' 94' ' ' LEU . 2.3 t -73.52 -25.23 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.643 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -36.41 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 163.22 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 102' ' ' LEU . . . -46.08 -96.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -35.26 -92.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.661 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -149.37 155.8 41.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 108.028 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 104' ' ' ASN . 2.1 p-10 -95.64 102.43 10.12 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.719 ' C ' ' HE3' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 -9.71 20.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.814 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 29.04 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 105' ' ' PRO . 0.4 OUTLIER -104.79 151.69 23.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.615 ' HB2' ' CE ' ' A' ' 29' ' ' LYS . . . -115.04 129.62 56.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.3 mt -103.55 114.03 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.808 ' CE3' HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -110.27 131.95 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.712 ' HB ' HG22 ' A' ' 118' ' ' VAL . 18.8 m -156.48 127.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' LEU . 4.4 m-20 -105.9 144.33 32.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 2.2 t90 -116.75 4.84 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 107.992 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.592 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 3.5 mm-40 -90.64 -44.75 9.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -114.15 19.24 16.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.26 50.16 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.669 HD22 ' HH2' ' A' ' 110' ' ' TRP . 1.9 mt -108.53 142.56 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.941 HG21 ' HB3' ' A' ' 59' ' ' MET . 3.2 t -150.02 143.48 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.638 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . -178.24 128.72 1.31 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.8 p-10 -87.75 175.85 7.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.605 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 83.55 144.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.576 ' O ' HD21 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -74.99 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.605 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -64.25 -28.94 70.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 120' ' ' ASN . 2.7 t0 -62.77 -38.51 90.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -49.44 -58.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 1.05 ' O ' HG22 ' A' ' 130' ' ' ILE . 3.8 t0 -48.51 -54.19 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 14.1 mmtp -50.77 -49.63 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.99 ' HB3' HD13 ' A' ' 129' ' ' ILE . 33.5 m-85 -86.78 -90.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.99 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -110.77 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 126' ' ' ASP . 0.0 OUTLIER -75.16 -169.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.846 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -48.33 -50.83 28.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.994 ' HB3' HD11 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -46.16 -21.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 42' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.535 0.207 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 4' ' ' TRP . 88.2 p -166.98 -64.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -39.0 96.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 2' ' ' SER . 4.3 m0 -83.9 -36.59 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -84.3 -18.88 34.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 6' ' ' THR . 24.6 m -127.5 52.32 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.08 113.42 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 35.33 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' GLN . 83.9 mtt180 56.5 115.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.456 ' CG ' ' HD2' ' A' ' 133' ' ' LYS . 2.5 pm0 -89.04 134.81 32.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 14' ' ' ILE . 18.2 Cg_endo -75.01 131.56 14.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 4.7 ttp180 -71.16 -29.44 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 14' ' ' ILE . 47.4 m -123.95 115.79 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.783 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm -100.88 125.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.924 ' HB3' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.06 98.54 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -109.6 128.33 55.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.648 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -97.84 154.44 17.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.962 HG23 ' CB ' ' A' ' 29' ' ' LYS . 95.2 m -102.1 140.01 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.601 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -136.94 43.04 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.938 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 52.63 158.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.061 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -156.43 -81.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -129.13 -137.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ALA . 36.8 m -38.21 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.717 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 2.0 m120 -83.67 103.89 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.061 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -59.4 -42.27 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.86 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -76.55 -50.48 13.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 1.023 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -65.93 -69.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 12.3 tp-100 -40.33 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.962 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -54.55 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.955 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.9 t -89.75 -46.44 8.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.023 HD23 ' HA ' ' A' ' 27' ' ' SER . 1.2 mm? -37.73 -40.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.858 ' CG ' ' O ' ' A' ' 28' ' ' GLN . 2.9 pp0? -69.08 -42.85 75.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD11 ' HB ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -59.42 -55.23 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.955 HD22 ' O ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -65.31 -14.92 61.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -56.47 -8.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -78.61 -57.77 3.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -133.2 176.01 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -176.63 150.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 38' ' ' VAL . 1.1 m 156.26 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 6.3 m-70 40.83 -137.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.617 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 5.5 tpm_? 90.3 -131.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CE2' HG22 ' A' ' 44' ' ' VAL . 28.3 p90 -92.16 173.75 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.66 125.98 44.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG22 ' CE2' ' A' ' 42' ' ' PHE . 16.7 t -89.99 139.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.783 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 0.8 OUTLIER -100.92 111.38 23.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.803 HD12 ' N ' ' A' ' 46' ' ' ILE . 2.5 mp -116.96 95.76 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' THR . . . -141.96 137.64 31.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.676 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -96.44 117.08 30.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.19 154.35 10.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.689 ' HA ' HD13 ' A' ' 94' ' ' LEU . 13.9 t80 -73.71 136.86 77.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 1.01 ' HB2' HD13 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.95 60.19 5.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.9 p -57.26 142.93 41.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.662 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -71.27 -22.49 61.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -51.61 -59.05 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.31 -38.65 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.689 ' N ' HD23 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -69.18 -18.1 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -40.65 -27.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 56' ' ' LEU . 9.8 m-85 -67.5 -55.24 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.604 ' HE2' HG13 ' A' ' 111' ' ' VAL . 1.5 mtt -76.39 -34.47 58.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -53.81 -26.19 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -44.87 11.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -59.19 -38.33 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ARG . 1.2 m -124.41 142.38 40.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.6 9.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.625 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 11.2 mt-30 -81.5 14.34 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . -28.36 -92.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.974 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.5 Cg_endo -74.89 -30.69 7.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.625 ' CG2' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -45.8 -40.98 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -33.1 54.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.01 HD13 ' HB2' ' A' ' 51' ' ' PRO . 2.0 mt -75.33 -58.83 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 67' ' ' PRO . 2.4 mt-30 -54.36 -31.58 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.978 ' CD ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.76 -19.45 48.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' HD22 ' A' ' 109' ' ' LEU . 2.8 tp60 -65.07 -38.92 92.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.758 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.71 140.08 47.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.582 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.5 Cg_endo -74.97 50.4 2.5 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' CD ' ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -165.89 28.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.978 HD13 ' CD ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -43.78 -63.37 0.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.476 ' N ' HD23 ' A' ' 81' ' ' LEU . 22.7 t70 -40.18 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.552 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -88.12 -59.34 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.636 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 10.9 p -79.06 -46.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.81 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.73 -13.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.93 -105.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.517 ' O ' ' O ' ' A' ' 84' ' ' LYS . 2.1 t80 -141.16 -6.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -57.9 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 1.188 ' CG ' HD11 ' A' ' 102' ' ' LEU . 4.6 m-70 -29.7 -27.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.934 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -48.54 -29.89 4.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.934 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -38.41 -160.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.929 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.96 23.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -88.67 -44.56 10.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.687 ' O ' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -109.69 -23.9 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.687 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -38.12 -111.37 0.0 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.832 ' HE3' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -19.05 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.75 ' H ' ' HG2' ' A' ' 92' ' ' MET . 0.7 OUTLIER -110.53 106.56 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 95' ' ' GLN . 0.1 OUTLIER -66.05 -19.21 65.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 1.084 ' N ' HD23 ' A' ' 94' ' ' LEU . 11.1 tm0? -64.09 -30.72 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.638 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 50.2 mmtt -67.46 -20.85 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.641 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.8 t -96.94 -47.83 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -72.95 -22.4 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.638 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -37.3 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.6 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER 152.5 54.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.03 -159.76 9.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.188 HD11 ' CG ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER 40.26 -126.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.749 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 14.2 m0 -110.25 158.07 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.514 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 66.7 m-80 -73.83 105.17 1.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.833 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.3 Cg_endo -74.95 -24.46 12.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 5.71 57.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.833 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.8 mm-40 -139.53 152.58 47.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.585 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.98 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.76 124.15 37.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.058 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 1.7 t90 -103.82 129.91 51.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.924 HG12 ' HB3' ' A' ' 15' ' ' SER . 1.1 t -158.85 131.74 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.607 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.3 t70 -124.56 148.66 47.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.424 ' O ' ' CE3' ' A' ' 113' ' ' TRP . 1.6 t90 -132.52 7.44 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.1 tm-20 -90.3 -45.28 9.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -112.67 3.58 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.778 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 5.7 tttt 69.52 63.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 118' ' ' VAL . 0.3 OUTLIER -131.97 155.56 47.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.513 ' H ' HD23 ' A' ' 117' ' ' LEU . 9.7 m -153.93 165.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 171.21 -163.72 36.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.9 OUTLIER -145.76 167.93 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER 82.28 146.55 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.0 -35.25 3.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.93 -24.68 67.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -55.05 -40.03 69.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.881 ' HB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -49.77 -52.71 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 0.3 OUTLIER -50.76 -50.98 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -57.15 -59.52 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.58 ' O ' HD12 ' A' ' 7' ' ' LEU . 20.3 m-85 -66.29 -74.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.058 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -146.75 83.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.925 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -35.66 168.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.925 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.39 -19.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.772 ' O ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -146.25 90.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.78 ' CB ' HG22 ' A' ' 129' ' ' ILE . 3.6 pttm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.467 0.175 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' PHE . 76.9 p -164.92 154.55 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' SER . 3.9 m-85 58.57 117.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -43.9 60.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -70.56 -48.59 54.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 6' ' ' THR . 15.3 t 28.42 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.08 137.51 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' ARG . 8.5 tp60 -51.61 118.67 3.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' GLN . 3.8 mmt180 60.66 124.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -85.96 131.02 48.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.906 ' HG2' HG21 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 151.1 39.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 40.4 mtt180 -118.3 -50.95 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.487 ' C ' HD13 ' A' ' 14' ' ' ILE . 22.9 m -105.86 113.81 27.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.816 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 4.1 mm -100.06 114.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -99.09 105.32 17.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -112.63 147.2 37.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.618 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 45.9 m-85 -122.14 152.23 40.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.703 ' CG2' HG22 ' A' ' 25' ' ' ILE . 2.3 m -100.77 140.27 35.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.713 ' OD1' HD21 ' A' ' 94' ' ' LEU . 2.0 t30 -140.47 61.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.649 ' C ' ' CG1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 50.87 160.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.124 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -170.29 -82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' CD ' ' A' ' 28' ' ' GLN . . . -151.0 -138.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 22' ' ' ALA . 12.8 t -33.53 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.2 m120 -98.2 97.72 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.124 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.6 mp -57.29 -37.51 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.32 -52.4 7.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -62.99 -64.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.997 ' HB3' HD12 ' A' ' 21' ' ' ILE . 4.1 tt0 -41.94 -32.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.773 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -52.04 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.691 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.5 t -96.67 -51.23 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 108.256 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.777 ' HB2' ' O ' ' A' ' 27' ' ' SER . 2.3 mm? -35.86 -33.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.986 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -78.99 -50.22 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.9 tp -52.8 -43.32 65.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.873 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.46 -15.77 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.371 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 7.8 tttt -57.06 -9.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -88.13 -67.64 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -138.13 102.99 4.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 131' ' ' GLN . 9.1 p -143.12 171.34 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.529 ' H ' HG22 ' A' ' 38' ' ' VAL . 10.5 t 169.93 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -141.81 134.24 28.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.564 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CD ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 166.17 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.836 ' CE2' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -155.33 166.69 32.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.27 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.873 HG11 HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -100.95 127.34 54.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.756 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -106.52 112.32 25.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.756 HD12 ' C ' ' A' ' 45' ' ' GLU . 1.6 mp -110.21 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.618 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.89 139.68 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.63 ' CB ' ' HB ' ' A' ' 18' ' ' THR . 8.8 p30 -101.58 121.57 42.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.758 ' C ' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -163.75 158.47 20.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.781 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -70.22 120.68 79.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 48.53 2.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.7 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -60.83 166.63 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -61.31 -26.06 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLN . 0.3 OUTLIER -49.87 -58.27 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -33.61 21.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.09 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.91 -25.71 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.544 ' HB3' ' O ' ' A' ' 53' ' ' TRP . 18.8 pt20 -42.5 -43.53 3.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 19.8 m-85 -63.44 -49.28 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE3' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -72.42 -28.68 63.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.78 -34.33 71.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 58' ' ' TYR . 1.2 p -77.84 -46.41 21.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 55.0 p -83.53 42.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 62' ' ' SER . 1.0 OUTLIER 155.98 129.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.28 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -34.16 3.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 68' ' ' VAL . 36.8 tt0 -97.55 12.09 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.507 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -49.97 -49.87 34.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.937 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.02 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 72' ' ' ARG . 18.0 t -49.14 -31.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.526 ' CB ' ' OD1' ' A' ' 120' ' ' ASN . 67.7 m -67.07 -33.64 75.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 67' ' ' PRO . 1.1 mt -72.98 -56.85 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.557 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 2.7 pt20 -61.25 -33.57 73.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.681 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.17 -16.59 57.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG3' ' HB3' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -69.35 -38.44 78.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.6 HD11 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -76.67 168.09 31.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -70.18 57.88 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.773 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.97 -64.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.618 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 2.0 t70 -45.79 -24.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.556 ' CB ' ' HB3' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -81.95 -58.98 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.943 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.68 ' HA ' ' HB ' ' A' ' 86' ' ' THR . 12.5 p -75.87 -44.32 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.866 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -51.98 -15.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' C ' HG21 ' A' ' 86' ' ' THR . 8.6 tptt -110.69 -108.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.628 ' C ' ' CG2' ' A' ' 86' ' ' THR . 17.2 m-85 -134.89 1.17 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.744 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -64.14 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 1.118 ' CD2' HD11 ' A' ' 102' ' ' LEU . 19.6 m-70 -25.13 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.647 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.888 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -47.17 -28.87 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.048 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -40.6 -156.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.048 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.92 17.52 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -87.53 -41.55 13.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 1.176 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.4 m-85 -104.55 -17.22 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -49.0 -149.99 0.0 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.914 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 5.0 -73.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.73 ' H ' ' HG2' ' A' ' 92' ' ' MET . 5.0 m-20 -111.96 101.02 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.99 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -87.42 -45.7 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.968 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -55.21 -26.85 42.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.618 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.6 mmmm -68.37 -28.64 67.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.17 -40.26 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 1.176 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.3 t -74.89 -30.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.641 ' CB ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.43 -39.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER 178.16 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -51.21 -94.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.118 HD11 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -34.3 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.548 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 4.1 m95 -144.12 159.64 42.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.406 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 2.8 m-80 -106.91 95.88 13.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.792 ' C ' ' HD3' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -75.05 -12.9 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.792 ' HD3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 32.91 41.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 33.6 mm-40 -119.69 155.37 32.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.81 126.27 55.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.72 HD23 ' HB3' ' A' ' 120' ' ' ASN . 6.2 mt -93.58 133.68 36.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.144 ' CZ2' HD11 ' A' ' 129' ' ' ILE . 9.5 t90 -123.61 130.79 53.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.621 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.3 m -154.4 126.03 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -114.35 157.78 22.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.6 t90 -133.26 -54.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CB ' ' A' ' 13' ' ' THR . 4.4 mm-40 -58.63 -16.36 15.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.8 ' HB2' ' OD2' ' A' ' 112' ' ' ASP . 0.0 OUTLIER -116.29 1.17 13.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER 52.3 51.31 16.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.747 ' N ' ' OD2' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -130.61 146.94 52.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.553 ' CG2' ' HG3' ' A' ' 59' ' ' MET . 44.8 t -149.42 158.12 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 155.69 126.83 1.01 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.72 ' HB3' HD23 ' A' ' 109' ' ' LEU . 2.2 m120 -98.97 120.45 39.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.584 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 2.7 mt-10 153.76 151.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.98 -24.45 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 128' ' ' TYR . 95.3 m-20 -52.96 -50.59 63.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.684 ' CG1' ' CD1' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -50.83 -58.23 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.462 ' HA ' ' HB ' ' A' ' 130' ' ' ILE . 1.2 t70 -45.08 -53.63 7.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -65.51 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.563 ' CD2' HD22 ' A' ' 117' ' ' LEU . 9.6 m-30 -57.0 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.144 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -144.61 83.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -30.68 166.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.879 ' N ' HG12 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -50.18 4.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.885 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -174.63 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.93 ' HB2' HG22 ' A' ' 129' ' ' ILE . 10.7 tttp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.51 0.195 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -163.31 145.01 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -160.48 172.22 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.418 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 29.0 p90 -80.73 -39.16 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HG2' ' HB2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -57.47 -46.3 83.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.43 ' OG1' ' CE ' ' A' ' 133' ' ' LYS . 14.5 m -99.33 160.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.927 HD21 ' HA ' ' A' ' 128' ' ' TYR . 2.7 pp 173.06 110.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 33.4 tt0 53.43 75.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 84.69 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -80.37 129.46 69.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 1.068 ' HB3' HD21 ' A' ' 117' ' ' LEU . 18.5 Cg_endo -74.95 125.02 9.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' N ' ' CG ' ' A' ' 115' ' ' ASN . 8.9 mtt-85 -102.63 -81.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.784 ' N ' HD21 ' A' ' 115' ' ' ASN . 15.6 m -82.64 120.5 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.63 HG13 ' CD2' ' A' ' 42' ' ' PHE . 1.5 mm -100.86 121.22 51.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -111.16 99.66 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.41 139.49 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 81.5 m-85 -111.84 150.66 30.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.612 ' HB ' ' CA ' ' A' ' 48' ' ' ASN . 1.8 m -97.27 136.0 38.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' A' ' 105' ' ' PRO . 2.6 m120 -142.02 34.27 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.949 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 63.13 159.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.081 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.83 -74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 28' ' ' GLN . . . -136.18 -130.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -39.07 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.699 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 1.7 m-20 -85.72 104.77 15.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.081 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.7 mp -52.61 -39.03 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.872 ' HD3' HG22 ' A' ' 25' ' ' ILE . 6.3 mmtp -81.31 -55.44 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.916 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -58.68 -65.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.029 ' HB3' HD13 ' A' ' 21' ' ' ILE . 63.4 tp60 -44.45 -34.55 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 2.5 tptm -45.32 -87.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.68 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.23 -43.32 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.916 ' HB2' ' O ' ' A' ' 27' ' ' SER . 4.1 mm? -38.49 -42.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' A' ' 28' ' ' GLN . 34.9 mm-40 -80.48 -43.31 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -52.71 -47.38 67.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -73.34 -20.43 60.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -66.11 1.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 34' ' ' LEU . . . -63.17 -115.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 5.3 t0 -64.87 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' O ' ' OE1' ' A' ' 131' ' ' GLN . 1.3 p -153.57 167.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.625 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 80.3 p -157.99 157.26 32.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 39' ' ' SER . 2.4 m170 158.65 63.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.507 ' CG ' ' HB2' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -162.27 -53.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.036 ' CE1' ' HA ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -93.78 168.17 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG12 ' A' ' 14' ' ' ILE . 1.6 m-20 -106.14 113.01 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.012 HG21 HD21 ' A' ' 34' ' ' LEU . 4.5 p -95.53 125.34 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 2.1 mm-40 -104.1 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.924 HD12 ' N ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -109.73 103.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -144.62 134.22 23.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' CA ' ' HB ' ' A' ' 18' ' ' THR . 2.1 p30 -90.09 120.52 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -162.49 156.68 21.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.809 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.07 124.81 91.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.723 ' HD3' HD22 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.03 47.19 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.712 ' CG2' ' CD2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -61.43 155.23 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.516 ' CZ3' ' CB ' ' A' ' 67' ' ' PRO . 57.2 m95 -55.08 -26.95 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -49.83 -59.47 3.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -44.12 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -55.63 -26.36 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.2 mt-30 -44.05 -31.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' HB3' ' CD1' ' A' ' 113' ' ' TRP . 8.2 m-85 -71.73 -50.21 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HG3' HG21 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -73.86 -30.76 62.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.47 -26.65 63.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.243 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.33 -45.19 16.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 p -66.44 -8.5 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -171.9 137.38 0.97 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.92 -21.62 15.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.445 1.761 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -94.3 7.32 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.705 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -64.45 -37.78 94.9 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 66' ' ' GLY . 18.2 Cg_endo -75.01 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -50.72 -28.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -56.55 -45.89 80.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.43 -54.46 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -49.49 -40.73 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.916 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.48 -18.8 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 109' ' ' LEU . 2.3 tm0? -64.21 -31.73 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -83.93 163.25 49.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.495 ' CD ' HG12 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.05 -42.9 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HB3' ' OG ' ' A' ' 79' ' ' SER . 3.6 mmtt -86.88 67.71 9.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 72' ' ' ARG . 4.0 tp -61.9 -67.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 82' ' ' LYS . 9.6 p-10 -42.16 -28.04 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 51.1 m -73.82 -64.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.711 HG23 ' OG1' ' A' ' 86' ' ' THR . 12.5 p -79.63 -30.51 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.878 ' N ' ' O ' ' A' ' 77' ' ' LEU . 12.8 tp -60.57 -9.12 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -126.38 -100.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.4 t80 -144.24 -5.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.85 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -56.17 -135.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.97 ' ND1' HD11 ' A' ' 102' ' ' LEU . 59.8 m-70 -27.71 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.965 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -47.59 -26.39 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.987 ' HB3' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -37.73 -158.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.987 ' HD2' ' HB3' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.04 19.67 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -82.53 -45.53 14.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.726 ' CD1' HD12 ' A' ' 94' ' ' LEU . 23.0 m-85 -106.38 -17.26 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.15 -163.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.956 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 18.4 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.784 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.675 ' H ' ' HG2' ' A' ' 92' ' ' MET . 12.7 m-20 -106.46 104.38 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD12 ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.68 -34.4 52.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.762 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 3.3 tt0 -44.36 -42.38 6.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' HG3' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -47.24 -34.67 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' LEU . 4.8 m -89.61 -25.82 21.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' LEU . 19.3 t -73.11 -24.1 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.766 ' O ' ' CB ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -52.21 -10.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.766 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 1.0 OUTLIER 122.79 2.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.242 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -61.3 -111.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.97 HD11 ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -30.79 -83.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.668 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -149.82 154.67 38.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 107.973 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.559 ' O ' ' HD3' ' A' ' 106' ' ' LYS . 17.0 m120 -82.99 106.32 6.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.812 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.4 Cg_endo -75.0 3.4 5.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.851 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER 3.6 60.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.812 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.5 mm-40 -138.16 155.71 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.678 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -115.97 127.93 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.75 ' CD2' HD12 ' A' ' 70' ' ' LEU . 5.3 mt -105.97 124.23 49.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.629 ' CE3' ' C ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -124.98 122.13 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.1 m -145.19 130.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.68 ' HB2' HD12 ' A' ' 117' ' ' LEU . 11.7 m-20 -121.51 138.97 54.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 1.4 t90 -101.79 -65.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -5.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.95 ' N ' HD22 ' A' ' 115' ' ' ASN . 0.4 OUTLIER -103.33 -13.43 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 58.82 25.01 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.068 HD21 ' HB3' ' A' ' 11' ' ' PRO . 3.5 pp -133.49 142.04 48.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 110' ' ' TRP . 83.5 t -145.93 163.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.618 ' O ' ' CD1' ' A' ' 110' ' ' TRP . . . 165.23 132.0 1.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASP . 15.1 p-10 -85.19 172.67 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.557 ' OE1' ' HB3' ' A' ' 123' ' ' ALA . 0.0 OUTLIER 86.63 147.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.622 ' O ' HD11 ' A' ' 33' ' ' LEU . 18.1 Cg_endo -75.07 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.557 ' HB3' ' OE1' ' A' ' 121' ' ' GLU . . . -63.69 -28.9 70.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' ' CD1' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -56.53 -45.17 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.96 -54.76 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.86 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -45.0 -51.78 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.541 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.15 -53.01 56.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 1.003 ' HB3' HD13 ' A' ' 129' ' ' ILE . 11.5 m-85 -82.27 -89.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.003 HD13 ' HB3' ' A' ' 128' ' ' TYR . 0.1 OUTLIER -118.25 87.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.959 HG12 ' N ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -48.44 -157.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.959 ' N ' HG12 ' A' ' 130' ' ' ILE . 2.1 mp0 -44.64 -16.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 1.036 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.466 0.174 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -123.57 135.24 53.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -156.3 160.93 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -83.92 -48.52 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HD2' HD11 ' A' ' 130' ' ' ILE . 2.7 mmtp -79.55 -26.46 41.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 6' ' ' THR . 8.8 t 33.65 93.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 128' ' ' TYR . 10.0 tp -152.39 -46.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 30.7 tt0 82.47 121.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 9.3 mtp180 60.03 99.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -86.18 135.95 36.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HA ' ' OD1' ' A' ' 115' ' ' ASN . 18.2 Cg_endo -75.04 170.56 20.15 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 1.2 ttt85 -104.05 -56.07 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 m -93.2 114.73 27.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.061 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 12.3 mm -99.31 113.08 33.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -102.69 100.52 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.937 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -126.89 131.03 51.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.704 ' CD2' HD12 ' A' ' 109' ' ' LEU . 58.1 m-85 -98.0 158.19 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.013 HG21 ' HA ' ' A' ' 26' ' ' LYS . 1.3 m -109.74 145.21 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' HD21 ' A' ' 94' ' ' LEU . 3.4 t30 -134.23 51.02 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 1.024 ' HA ' HG23 ' A' ' 25' ' ' ILE . 10.7 t70 50.86 164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.152 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -158.66 -79.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . -146.34 -99.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -56.23 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.659 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -75.94 97.58 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.152 ' O ' HD11 ' A' ' 21' ' ' ILE . 1.1 mm -39.62 -46.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.013 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.67 -61.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.841 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.37 -66.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.011 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.017 ' HB3' HD13 ' A' ' 21' ' ' ILE . 36.2 tp60 -37.94 -30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.881 ' HA ' HG12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.26 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.967 ' SG ' HG23 ' A' ' 46' ' ' ILE . 2.0 m -78.51 -56.84 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.841 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -33.75 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.6 mm100 -77.31 -48.01 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.947 HD21 ' HB ' ' A' ' 125' ' ' ILE . 2.0 tp -57.51 -56.16 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.927 HD21 HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -66.52 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -60.36 -14.48 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -42.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' OE1' ' A' ' 131' ' ' GLN . 1.2 m-20 -102.53 -87.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -164.35 171.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.632 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 85.4 p -129.93 171.56 12.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.658 ' O ' ' C ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 171.14 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.592 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.658 ' C ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -13.17 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.678 ' CD2' ' O ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -89.85 165.37 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.949 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.32 122.82 46.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.927 HG11 HD21 ' A' ' 34' ' ' LEU . 23.5 t -92.73 128.24 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.722 ' C ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -97.53 116.39 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.967 HG23 ' SG ' ' A' ' 30' ' ' CYS . 1.1 mp -106.83 105.53 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -143.23 138.83 29.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.55 ' HA ' ' H ' ' A' ' 18' ' ' THR . 6.3 p30 -101.26 123.25 45.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.703 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -157.74 162.82 38.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CD1' ' O ' ' A' ' 92' ' ' MET . 27.0 p90 -72.67 111.86 12.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.752 ' HG3' HD11 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 61.28 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' PHE . 38.7 p -80.92 167.24 20.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.576 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 5.7 p90 -59.44 -26.88 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -58.37 6.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -84.05 -52.27 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.019 HD22 HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -51.53 -27.25 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 3.6 tp60 -36.29 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' LEU . 3.3 m-85 -64.49 -54.79 26.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.481 ' SD ' ' CG2' ' A' ' 118' ' ' VAL . 3.4 mmt -78.51 -26.45 45.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.588 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 3.5 ttt180 -51.5 -34.04 34.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.85 -46.48 9.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -62.92 -13.95 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.92 134.94 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.36 4.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.532 1.807 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' CA ' HG22 ' A' ' 68' ' ' VAL . 90.6 mt-30 -91.33 12.78 19.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.565 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . -60.66 -47.25 92.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.68 ' HB3' HD21 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 1.9 m -48.99 -27.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -72.23 -35.0 68.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.019 HD12 HD22 ' A' ' 56' ' ' LEU . 6.2 mt -73.69 -58.51 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' A' ' 68' ' ' VAL . 6.0 pt20 -54.23 -36.68 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.927 ' HD2' HD13 ' A' ' 77' ' ' LEU . 1.1 mmm-85 -79.73 -17.8 52.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -67.73 -40.41 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.704 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -79.14 141.0 57.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.01 57.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -176.45 34.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -44.33 -62.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.416 ' N ' HD23 ' A' ' 81' ' ' LEU . 20.5 t70 -40.13 -27.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.567 ' HA ' ' CB ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -86.64 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.93 ' HA ' ' CB ' ' A' ' 86' ' ' THR . 8.8 p -80.39 -42.89 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.859 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.21 -6.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -125.47 -86.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.647 ' C ' HG22 ' A' ' 86' ' ' THR . 0.1 OUTLIER 179.36 5.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.728 ' O ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -53.12 -152.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.611 ' O ' ' CG2' ' A' ' 89' ' ' THR . 9.1 m-70 -37.25 -17.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.119 ' O ' ' O ' ' A' ' 87' ' ' ASP . 5.2 t -51.69 -16.33 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.162 ' HB3' ' CD ' ' A' ' 88' ' ' PRO . 1.0 OUTLIER -31.54 -145.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.162 ' CD ' ' HB3' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.01 25.68 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' A' ' 85' ' ' HIS . 1.4 t -88.57 -49.88 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.843 ' HE2' HD22 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.21 -22.69 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' MET . . . -51.39 -118.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.841 ' HE1' ' C ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -14.98 -61.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 111.009 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m-20 -119.94 98.54 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.017 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -85.41 -32.26 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.869 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -68.87 -57.77 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 100' ' ' ARG . 36.2 mmtt -44.48 -27.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.725 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.1 m -92.11 -39.05 11.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 108.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.672 HG23 ' CE1' ' A' ' 90' ' ' PHE . 2.1 t -76.14 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.733 ' CB ' HG21 ' A' ' 25' ' ' ILE . 10.3 mt-30 -51.64 -21.83 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 96' ' ' LYS . 1.3 tmt_? 177.6 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.598 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . -178.08 -128.82 1.2 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.843 HD22 ' HE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -23.42 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.95 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 7.0 t90 -143.78 160.19 41.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.011 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 104' ' ' ASN . 2.8 p30 -93.56 94.08 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.95 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -75.03 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.774 ' HG3' ' C ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -165.86 39.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 9.6 mt-10 -122.04 156.46 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.639 ' HB2' ' CD ' ' A' ' 29' ' ' LYS . . . -134.32 148.9 50.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.752 HD11 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -113.74 119.34 37.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.061 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 8.6 t90 -105.66 135.25 47.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.63 HG12 HG13 ' A' ' 118' ' ' VAL . 18.1 m -157.86 127.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.614 ' CG ' ' H ' ' A' ' 115' ' ' ASN . 0.0 OUTLIER -106.69 149.62 27.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.4 ' CD1' ' HD2' ' A' ' 58' ' ' TYR . 1.6 t90 -121.04 1.41 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 108.029 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.574 ' HG3' ' CB ' ' A' ' 12' ' ' ARG . 1.5 mm-40 -87.86 -45.2 10.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.614 ' H ' ' CG ' ' A' ' 112' ' ' ASP . 3.7 m-20 -111.19 17.56 20.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 52.93 52.05 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.81 HD22 ' CE2' ' A' ' 128' ' ' TYR . 1.7 mt -111.6 145.52 39.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 111' ' ' VAL . 53.5 t -150.58 141.42 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . -163.64 162.75 35.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' HB3' ' OG ' ' A' ' 69' ' ' SER . 3.3 p30 -118.91 160.44 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 124' ' ' ASP . 2.7 mt-10 70.25 166.21 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.715 ' CB ' HD22 ' A' ' 33' ' ' LEU . 18.2 Cg_endo -75.0 -41.37 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -49.31 -28.19 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.633 ' OD1' ' CD1' ' A' ' 128' ' ' TYR . 2.7 t0 -59.58 -48.14 82.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.947 ' HB ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.22 -56.95 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.622 ' HA ' HG22 ' A' ' 130' ' ' ILE . 2.4 t0 -45.65 -56.69 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 16.0 mmtp -57.37 -55.65 32.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.985 ' HB3' HD13 ' A' ' 129' ' ' ILE . 2.9 m-85 -70.19 -84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.05 HD11 ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -129.91 95.48 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 109.364 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.791 ' O ' ' O ' ' A' ' 129' ' ' ILE . 0.6 OUTLIER -39.95 -116.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.627 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.7 mp0 -106.66 -37.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.752 ' H ' HD12 ' A' ' 130' ' ' ILE . 1.1 ptp85 -99.05 -26.13 14.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.764 ' HD2' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.464 0.173 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -124.72 133.42 53.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.054 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 5.7 p90 -137.28 56.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -83.18 -48.77 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 107.985 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CB ' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -85.3 -41.56 15.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 58.04 102.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -165.59 120.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -43.58 93.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 61.38 129.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 142.4 28.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HG3' ' CD2' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 -166.55 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' CB ' ' HG2' ' A' ' 114' ' ' GLU . 8.0 mtt-85 -135.04 -45.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 1.149 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 7.1 m -109.3 117.79 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.121 HG23 ' CZ2' ' A' ' 110' ' ' TRP . 3.3 mm -92.7 110.65 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.574 ' O ' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -106.77 102.24 11.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -129.18 128.45 43.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.668 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 4.7 m-30 -97.17 154.12 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.983 HG21 ' HA ' ' A' ' 26' ' ' LYS . 37.1 m -101.82 150.98 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.807 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 m120 -146.72 54.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 1.083 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 44.72 154.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -153.78 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -154.87 -130.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' ALA . 4.0 t -30.24 -92.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.688 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -82.44 98.28 8.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.083 HG23 ' HA ' ' A' ' 20' ' ' ASP . 5.9 mm -43.05 -41.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.983 ' HA ' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -84.13 -60.65 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.778 ' CA ' ' HB2' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -55.86 -66.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.835 ' O ' ' HB2' ' A' ' 32' ' ' GLN . 50.4 tp60 -38.56 -34.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.877 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -52.19 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.939 ' SG ' HD21 ' A' ' 34' ' ' LEU . 4.2 t -92.72 -51.72 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.778 ' HB2' ' CA ' ' A' ' 27' ' ' SER . 3.4 mm? -33.34 -37.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.835 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 8.4 mm100 -81.51 -41.06 22.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.994 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.0 -46.79 89.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.939 HD21 ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -80.41 -11.65 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 2.1 tptt -47.91 -19.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' LEU . . . -57.88 -95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.55 ' H ' ' NE2' ' A' ' 131' ' ' GLN . 3.6 m-20 -101.24 -172.32 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -166.0 164.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 2.1 m 167.76 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -111.24 129.94 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 178.05 -27.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.925 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -158.7 161.54 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -105.01 114.75 29.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.925 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 2.1 t -86.21 120.22 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.772 ' C ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -99.96 113.57 26.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.772 HD13 ' C ' ' A' ' 45' ' ' GLU . 1.8 mm -109.5 104.93 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 17' ' ' PHE . . . -141.37 136.1 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.602 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 1.8 p30 -90.96 122.59 33.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.509 ' O ' HD22 ' A' ' 94' ' ' LEU . 1.4 tpt180 -158.32 159.19 35.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.739 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.48 129.69 89.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.14 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -59.1 146.5 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.442 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.929 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.01 -24.97 66.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -56.98 8.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -39.1 27.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -60.32 -25.24 65.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.599 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -41.52 -30.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.04 -53.36 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 118' ' ' VAL . 0.4 OUTLIER -70.11 -28.37 65.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -54.64 -37.99 66.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -76.24 -37.53 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -95.95 38.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -178.72 133.59 0.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 63' ' ' CYS . 18.3 Cg_endo -75.03 -29.48 8.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.627 ' CA ' HG22 ' A' ' 68' ' ' VAL . 0.2 OUTLIER -88.27 -15.96 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 65' ' ' GLN . . . 20.08 -106.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 -36.09 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.627 HG22 ' CA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -47.0 -37.42 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -73.74 -34.25 64.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 67' ' ' PRO . 3.4 mt -73.24 -54.12 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -61.76 -32.68 72.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.6 mmt180 -79.48 -18.8 51.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.696 ' OE1' HD23 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -66.98 -36.43 82.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.583 HD13 ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -82.86 159.52 62.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.99 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -78.03 56.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -65.81 -65.37 0.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.529 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 p-10 -40.42 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 84' ' ' LYS . 9.4 t -83.62 -61.17 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.044 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.684 HG23 ' OG1' ' A' ' 86' ' ' THR . 11.0 p -80.43 -43.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.47 -6.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -123.19 -104.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.7 t80 -146.35 -6.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.816 ' O ' ' N ' ' A' ' 86' ' ' THR . 6.4 tttt -57.02 -134.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.787 ' CD2' HD21 ' A' ' 102' ' ' LEU . 32.8 m170 -29.34 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.945 ' O ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -48.74 -26.76 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' O ' ' O ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -39.36 -156.51 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.942 ' CD ' ' CB ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -75.04 19.86 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -84.65 -41.74 16.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' A' ' 94' ' ' LEU . 1.2 m-85 -107.13 -20.75 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 90' ' ' PHE . . . -48.5 -170.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.784 ' HE1' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 27.56 -97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.519 ' H ' ' CG ' ' A' ' 92' ' ' MET . 6.3 m-20 -96.19 103.09 14.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -77.75 -30.1 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 1.5 tt0 -50.89 -27.55 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.621 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 46.9 mmtt -62.5 -28.69 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.662 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -98.38 -49.94 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 108.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.707 ' CG2' HD11 ' A' ' 94' ' ' LEU . 80.7 t -58.77 -32.96 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.621 ' CG ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -39.05 -25.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 99' ' ' GLN . 4.1 ttt180 154.03 -19.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 103' ' ' TRP . . . -65.14 -160.76 0.58 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER 34.94 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.758 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 0.3 OUTLIER -143.45 157.94 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -93.97 100.01 4.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 103' ' ' TRP . 18.3 Cg_endo -74.95 -165.99 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.666 ' HE2' ' C ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -179.02 46.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 23.3 mt-10 -135.94 142.52 44.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -115.66 129.65 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.83 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -100.35 116.33 32.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 1.121 ' CZ2' HG23 ' A' ' 14' ' ' ILE . 3.9 t90 -104.42 128.83 52.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 HG13 ' A' ' 118' ' ' VAL . 4.1 m -150.69 142.15 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.663 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -123.88 145.34 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 1.149 ' CZ2' HG21 ' A' ' 13' ' ' THR . 16.8 p-90 -122.05 12.99 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.962 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.631 ' OE1' ' CE3' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -95.03 -39.05 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 4.6 m-20 -112.41 0.37 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.603 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 72.43 40.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.785 HD11 ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -112.77 143.19 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 59' ' ' MET . 76.3 t -147.84 158.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 110' ' ' TRP . . . 159.23 113.41 0.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.668 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.18 123.39 35.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 0.804 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 120' ' ' ASN . 0.5 OUTLIER 161.62 157.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.84 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.791 ' HB1' ' HE2' ' A' ' 127' ' ' LYS . . . -74.72 -23.67 58.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.698 ' HB3' ' CE2' ' A' ' 128' ' ' TYR . 5.5 m-20 -55.66 -49.57 72.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.73 HG12 ' CD1' ' A' ' 110' ' ' TRP . 1.5 mt -49.58 -59.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.776 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.2 t70 -53.49 -44.75 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.791 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -60.78 -59.95 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.756 ' HB2' HD13 ' A' ' 129' ' ' ILE . 5.0 m-30 -70.04 -70.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.018 HD11 ' CZ2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -144.04 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.829 HG12 ' HG2' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -50.58 -170.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.829 ' HG2' HG12 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -42.25 -23.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.87 ' HA ' ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -158.15 82.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.702 ' C ' HG22 ' A' ' 129' ' ' ILE . 13.6 tttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 stop_ save_