data_1wf5_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 1wf5 _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 ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 19.8 mt -92.33 139.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.99 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.73 167.2 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' O ' ' NE2' ' A' ' 19' ' ' HIS . . . -63.54 162.4 27.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.13 42.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -108.81 -178.59 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.602 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.88 54.13 3.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.86 139.52 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -132.12 115.48 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.95 151.38 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -60.26 173.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -104.11 96.62 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -70.32 58.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -178.01 -49.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.36 124.0 44.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -71.83 137.32 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 79.7 mtt180 61.33 45.79 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.08 139.13 25.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 83' ' ' LEU . 65.3 mt -121.27 137.51 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -93.78 107.24 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.543 HD11 ' CE3' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -87.08 133.28 33.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 p -136.43 130.57 32.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 77' ' ' SER . 40.1 p90 -140.82 175.48 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 20.3 m -100.59 158.4 15.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -76.78 113.24 27.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.99 161.39 38.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' ASP . 4.1 t80 -64.27 104.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -36.1 -64.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ASN . . . 108.79 58.89 0.54 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 1.4 m120 69.54 -53.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -91.63 150.24 40.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.77 41.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.24 169.74 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -124.66 -55.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -157.94 175.8 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.526 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 12.4 m-85 -130.12 151.0 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 42.4 mt -118.1 98.25 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -90.57 109.47 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' HD22 ' A' ' 55' ' ' LEU . 14.0 mt-10 -102.23 130.04 48.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.445 ' CE ' HD12 ' A' ' 67' ' ' LEU . 59.5 ttp -101.25 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 t -124.83 101.33 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CA ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 tt0 -68.33 -167.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -55.09 96.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.01 27.08 15.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.496 ' HB3' ' CA ' ' A' ' 59' ' ' GLU . . . -90.46 148.2 38.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.35 31.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.3 m95 -47.92 114.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -114.25 117.1 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.23 101.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 HD12 ' CE ' ' A' ' 57' ' ' MET . 6.9 mt -86.74 -63.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.19 110.22 21.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.84 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -89.72 99.98 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 53' ' ' TYR . 3.6 t -122.29 148.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.09 130.24 91.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.526 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.6 Cg_endo -74.94 -23.05 14.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -82.85 -8.42 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 140.48 29.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -118.41 1.71 11.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.8 p -144.17 147.09 33.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.89 156.56 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.0 m -116.48 120.78 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.535 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 61.3 t -92.27 107.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -98.17 156.47 16.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.17 76.79 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 95.2 mt -129.55 164.99 22.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.769 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.85 132.59 32.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.88 28.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 66.05 46.41 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -147.73 147.12 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -80.33 146.6 31.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 17.1 m-85 -144.29 129.0 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.49 151.88 27.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CZ ' ' CG2' ' A' ' 80' ' ' VAL . 11.0 m-85 -133.93 145.57 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.597 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.46 107.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.537 HD13 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -113.31 150.12 32.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLN . 20.7 p -114.63 175.34 5.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -105.58 127.77 53.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 21.9 t -121.19 129.99 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.439 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 49.4 p-10 -135.95 173.79 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -44.78 -47.07 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.51 -54.07 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 165.88 -159.74 33.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HG3' ' CG2' ' A' ' 96' ' ' VAL . 14.8 ttmt -107.75 132.58 53.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.15 -111.0 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 3.9 pm0 -137.03 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 7.5 m-85 -98.02 150.29 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 163.17 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 160.97 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' GLU . 15.7 p -47.78 144.66 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 2.4 tt0 -38.07 127.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.92 99.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.7 130.87 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -120.87 140.78 51.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.78 156.29 55.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.474 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 11.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 mt -85.15 140.2 36.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.85 38.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 165.41 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.54 163.88 30.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.05 34.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -117.82 179.23 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.601 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 37.87 54.52 3.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.98 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.13 132.2 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 38' ' ' LEU . . . -133.11 107.42 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -129.12 158.77 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.7 mt -47.29 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -28.88 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p 52.09 29.74 6.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 32' ' ' GLU . 34.3 m -150.56 -54.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -93.72 121.21 34.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -52.7 127.41 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 3.1 mmp_? 54.67 51.26 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -135.97 156.98 47.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 111' ' ' VAL . 51.3 mt -132.82 147.82 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' N ' HG21 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -95.02 103.31 15.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.529 HD11 ' CZ3' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -86.73 128.17 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -139.29 125.89 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.529 ' CZ3' HD11 ' A' ' 38' ' ' LEU . 38.6 p90 -139.2 168.82 18.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 m -93.86 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.71 112.31 23.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.94 176.13 10.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.626 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -86.36 127.68 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.626 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.3 p-10 -89.21 154.44 20.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -79.75 59.79 4.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 76.08 -45.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -89.47 151.07 45.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.69 14.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -51.16 153.13 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.58 -53.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -154.93 -178.42 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 12.8 m-85 -135.85 133.3 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 ' CD1' ' HE2' ' A' ' 101' ' ' LYS . 41.5 mt -96.82 100.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.412 ' CD1' HD23 ' A' ' 93' ' ' LEU . 1.9 tp -89.3 118.76 29.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -110.62 124.26 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' CE ' HD11 ' A' ' 67' ' ' LEU . 58.7 ttp -100.86 136.58 40.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.7 t -124.9 101.07 6.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.9 tt0 -62.04 -147.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -71.43 96.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.66 12.14 7.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.76 146.87 86.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 146.89 32.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.6 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.5 m95 -48.92 112.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -112.39 115.27 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.07 101.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 HD11 ' CE ' ' A' ' 57' ' ' MET . 7.6 mt -85.22 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.26 110.24 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.04 17.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.56 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.7 t -125.76 152.81 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 135.8 88.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.05 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -88.52 11.1 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.85 136.32 43.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.527 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 74.6 p -120.53 0.71 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -139.91 151.91 45.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -154.25 154.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -115.76 106.02 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 91' ' ' PHE . 92.8 t -73.45 150.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 14.4 mttm -135.7 -178.79 5.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.16 60.34 8.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.577 HD23 ' CE1' ' A' ' 89' ' ' TYR . 87.8 mt -114.8 171.57 7.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 76.6 t -107.98 143.06 26.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.0 153.12 41.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 49.18 58.7 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -153.6 143.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.7 m -79.94 152.36 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' HD23 ' A' ' 83' ' ' LEU . 19.1 m-85 -145.94 142.7 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -130.52 127.21 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 80' ' ' VAL . 45.4 m-85 -113.48 152.64 29.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.6 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -170.33 108.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.524 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.06 158.19 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 22.6 p -121.86 175.02 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.29 122.11 44.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.406 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 21.3 t -118.01 130.33 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' GLY . 47.3 p-10 -137.5 166.72 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -39.64 -48.48 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.62 -50.39 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 161.02 -162.8 33.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' A' ' 54' ' ' ILE . 1.8 ttmt -105.33 143.97 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -95.5 -112.41 2.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -132.31 167.95 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 4.7 m-85 -100.97 153.53 19.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -70.27 162.52 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.56 158.84 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -59.59 112.38 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 43.9 p -53.22 160.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' VAL . 2.1 mt-10 -49.14 116.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 5.6 ttp180 -37.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 36' ' ' ILE . 5.2 p -92.07 124.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -107.11 143.75 34.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.475 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -89.76 156.91 47.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -74.99 146.89 33.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 7.0 tt0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -57.65 141.64 79.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.67 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.7 158.74 25.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 103' ' ' GLN . . . -67.73 164.83 36.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.591 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.99 140.96 26.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 170.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.5 m-70 47.47 50.36 8.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 106.45 2.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.05 152.05 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -145.91 105.63 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 146.61 47.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 3.2 mt -48.85 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . 17.6 m -102.55 93.97 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 p -74.87 55.89 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.68 -42.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.45 115.18 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -64.6 144.46 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 57.76 34.79 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.495 ' HB3' ' CB ' ' A' ' 29' ' ' SER . . . -133.95 161.41 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 HD13 ' CD2' ' A' ' 83' ' ' LEU . 90.1 mt -139.91 143.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' N ' HG21 ' A' ' 36' ' ' ILE . 1.6 m-20 -101.53 128.9 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 26' ' ' ALA . 3.8 tp -123.56 137.34 54.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.5 127.37 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 41.3 p90 -130.24 178.43 6.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.479 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -101.65 156.52 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 111.29 16.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.6 t80 -98.54 125.27 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 14.5 t0 -88.75 143.63 26.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.81 -67.25 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -170.77 32.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -143.68 157.67 58.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 123.31 7.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -43.33 146.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 mt -100.99 -57.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -161.36 -178.41 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 12.5 m-85 -135.09 134.12 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.57 105.66 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.32 122.33 33.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -116.9 126.11 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.402 ' SD ' ' CD1' ' A' ' 89' ' ' TYR . 57.9 ttp -101.14 141.7 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.59 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 9.1 t -124.56 99.08 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.598 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.2 tt0 -62.63 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.29 92.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.18 18.77 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -82.04 148.41 60.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.56 30.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 66.1 m95 -49.4 108.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -107.49 119.01 38.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.84 100.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.59 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.76 110.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.04 -35.84 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 100.62 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.4 149.46 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 136.13 87.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HG2' ' NZ ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.99 -22.69 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' NZ ' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -91.1 9.51 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 129.86 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -112.38 -5.41 14.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 7.0 p -137.34 148.1 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.55 150.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.4 m -118.87 111.67 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' CE1' ' A' ' 91' ' ' PHE . 12.0 t -81.85 149.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -144.29 150.83 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.29 17.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 1.6 mp -81.6 157.74 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.23 132.82 29.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 74.74 46.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -158.19 146.08 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 m -81.64 152.48 27.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 24.6 m-85 -145.47 136.3 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -123.71 127.95 48.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE1' HG22 ' A' ' 80' ' ' VAL . 51.2 m-85 -110.59 155.22 22.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -179.23 114.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 ' CH2' ' A' ' 40' ' ' TRP . 1.2 pt? -110.88 169.29 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 2.9 p -129.03 175.18 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.305 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.69 120.95 41.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.454 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 50.8 t -116.26 129.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 45' ' ' ASP . 44.5 p-10 -141.5 169.33 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -40.65 -37.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.09 -55.46 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.58 179.43 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 9.8 ttpp -68.86 141.77 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.11 -105.79 2.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.2 OUTLIER -137.32 161.46 36.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.536 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 17.2 m-85 -99.05 145.27 27.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -71.22 145.71 49.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.86 163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.521 ' OD1' ' CZ2' ' A' ' 64' ' ' TRP . 56.7 m-20 -79.29 109.69 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.475 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 32.3 p -44.52 154.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.4 mt-10 -43.77 130.01 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLU . 4.4 ttm-85 -38.04 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 32.4 t -97.58 121.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -108.93 142.83 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -94.61 140.19 22.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.465 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.97 117.02 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.36 145.93 73.21 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.03 150.29 37.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.74 156.78 24.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 103' ' ' GLN . . . -63.57 164.1 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.2 Cg_endo -74.99 129.9 12.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -88.64 179.78 6.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.591 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.96 54.56 2.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 79.36 2.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -96.72 136.01 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -133.84 106.06 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.32 149.98 40.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -72.84 164.65 26.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.6 122.38 33.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.8 p -89.17 27.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.07 -47.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.81 121.56 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -66.54 147.12 53.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 46.5 57.35 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -152.91 127.82 9.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 96.9 mt -110.69 140.28 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.53 103.65 15.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -87.42 133.31 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.5 p -145.28 126.3 14.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.6 ' CZ2' HD12 ' A' ' 93' ' ' LEU . 29.9 p90 -133.23 179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -103.46 156.15 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 112.49 27.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 176.23 10.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 4.2 t80 -89.81 125.4 35.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.3 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.73 -63.62 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -171.34 32.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -154.89 154.89 29.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.53 11.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -43.91 155.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.426 HD13 ' CA ' ' A' ' 98' ' ' ASP . 16.9 mt -116.09 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -158.15 177.85 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 3.5 m-85 -132.81 134.91 45.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.419 HD11 ' CD ' ' A' ' 101' ' ' LYS . 28.3 mt -103.94 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.05 124.62 32.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 66' ' ' VAL . 1.8 mm-40 -112.68 120.58 42.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.1 ttp -102.29 139.52 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -124.73 114.39 19.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.5 tt0 -76.56 -146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -72.9 97.81 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.03 14.95 4.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 149.0 83.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.81 29.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 73.8 m95 -43.9 115.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -117.37 110.13 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 54.9 t -55.03 101.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.72 -61.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.2 mt -109.18 114.21 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.0 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.81 102.45 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 23.5 t -123.21 152.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 134.27 89.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.91 12.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.807 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -90.97 19.21 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.26 137.29 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.7 p -119.22 -0.08 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.547 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 10.5 p -142.03 150.54 41.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -147.98 156.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.431 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 33.9 m -113.75 132.28 55.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 54.3 t -109.89 100.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 79' ' ' THR . 7.2 mttp -105.77 143.13 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.89 -8.59 16.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -53.71 158.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 81.2 t -100.28 142.94 25.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 140.55 25.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 71.82 46.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 37.6 mtt180 -151.26 146.95 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -89.59 145.94 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.595 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 74.0 m-85 -145.1 146.12 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.572 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 23.9 mt-30 -123.06 166.51 15.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 16.8 m-85 -149.79 145.73 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -170.64 104.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.6 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -100.57 168.0 9.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 15.7 p -134.14 174.12 10.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -102.36 134.99 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 55.4 t -134.87 131.22 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -139.01 -174.27 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' OD1' ' CB ' ' A' ' 48' ' ' SER . 17.6 p-10 -53.04 -50.59 63.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 3.1 m -46.4 -51.44 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 153.26 -170.69 32.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 3.5 ttpt -74.23 153.18 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.14 -101.06 2.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HG3' ' CB ' ' A' ' 20' ' ' ALA . 1.2 pt20 -150.66 152.64 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 33.9 m-85 -87.05 172.46 9.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -98.19 162.93 12.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 163.58 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -68.55 113.45 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.5 p -53.9 146.96 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.7 tt0 -36.79 123.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.28 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 39.1 t -89.51 116.74 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.09 150.06 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.549 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -84.89 151.43 57.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 3.1 pt20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.23 147.62 97.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.4 Cg_endo -74.92 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -123.6 158.09 32.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 104' ' ' PHE . . . -64.29 161.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.1 Cg_endo -74.99 119.99 5.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -82.28 172.47 13.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 43.8 51.77 8.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.64 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.02 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.21 151.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -146.51 105.84 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.3 156.61 36.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 2.3 mt -61.04 165.02 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 101.64 12.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p -74.58 -0.75 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -109.56 -35.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 3.5 mm-40 -116.31 138.71 51.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -83.86 141.37 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 2.0 mtp180 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -120.5 167.17 12.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' CE2' ' A' ' 91' ' ' PHE . 88.7 mt -140.44 139.3 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' HG21 ' A' ' 36' ' ' ILE . 1.6 m-20 -100.62 134.16 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.1 tp -127.62 136.39 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.47 126.09 17.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 34.2 p90 -125.94 174.25 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 107.981 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -97.78 156.89 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -77.95 112.39 24.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -75.01 175.71 10.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.7 t80 -80.88 126.76 31.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.554 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 4.2 p-10 -81.06 137.5 36.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.83 53.74 4.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.7 t30 61.17 17.58 8.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.467 ' CB ' HG11 ' A' ' 99' ' ' VAL . 30.1 t -128.8 145.54 56.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -43.76 139.1 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 97' ' ' ASN . 10.5 mm -96.28 -59.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -162.17 -165.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.8 m-85 -146.4 124.73 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.37 103.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.39 121.98 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -113.57 121.8 45.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.431 ' HG2' ' N ' ' A' ' 58' ' ' SER . 51.4 ttp -100.88 148.07 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.5 t -124.46 112.5 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 3.4 tt0 -78.5 97.75 5.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 55.11 -94.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.99 37.44 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 59' ' ' GLU . . . -97.87 150.8 37.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.49 30.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 63.6 m95 -43.31 110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.8 114.13 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.47 101.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.4 -61.59 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -108.34 110.52 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' ARG . . . -90.63 -26.03 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.69 100.44 7.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 42.5 t -123.81 151.6 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.39 137.49 86.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.74 11.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.59 22.81 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.38 133.9 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -115.91 -2.24 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -139.67 150.18 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.57 157.1 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -124.92 121.99 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.408 ' C ' ' HG3' ' A' ' 81' ' ' LYS . 39.6 t -93.47 141.29 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -134.33 150.64 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 30.54 7.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -86.03 -177.92 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.437 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 86.3 t -119.63 141.8 31.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.02 140.72 25.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 67.84 47.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -152.02 140.55 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 m -81.83 148.69 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -145.33 131.09 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 43.7 mt-30 -109.24 153.99 23.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.484 ' CE2' HG23 ' A' ' 36' ' ' ILE . 59.5 m-85 -139.23 141.84 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.0 113.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.591 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -112.27 164.56 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 9.3 p -128.85 172.54 11.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.18 124.79 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.7 t -125.38 127.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.542 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -133.6 -177.17 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.4 t70 -52.73 -52.51 56.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 48' ' ' SER . 7.4 m -44.75 -46.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 161.09 -152.71 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 0.4 OUTLIER -103.96 151.47 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -109.67 -159.6 18.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.99 171.28 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 6.8 m-85 -106.51 175.22 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.7 p -101.21 149.57 23.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -54.36 159.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 3.1 p-10 -69.4 112.98 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.494 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 21.2 p -47.1 174.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -65.08 125.78 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.6 ttt180 -34.18 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' GLU . 51.9 t -87.86 118.35 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.1 p -107.19 142.34 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -90.74 156.13 45.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.04 138.4 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 6.0 tt0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 15.1 mt -92.13 143.05 26.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.94 128.17 11.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 164.17 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 165.02 16.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.1 mm-40 -102.46 177.82 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.588 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 36.96 55.19 3.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.93 79.72 2.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.95 147.44 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -141.73 124.53 16.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 141.66 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD21 ' CD ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -47.88 172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -101.57 -18.23 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.5 p 45.78 25.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 1.2 t -141.14 -58.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 3.8 mm-40 -81.62 138.14 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 16.4 mmt180 -56.85 128.93 39.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 4.2 mpp_? 37.43 56.78 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -130.35 141.35 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.485 ' CD1' HD21 ' A' ' 83' ' ' LEU . 85.6 mt -117.35 145.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -103.69 114.53 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 91' ' ' PHE . 1.8 tp -100.1 145.65 27.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -149.71 123.74 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ2' HD12 ' A' ' 93' ' ' LEU . 47.5 p90 -133.18 174.07 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -102.19 155.95 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -79.39 113.4 36.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 175.39 11.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.3 t80 -85.48 128.86 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.8 p-10 -78.78 133.84 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.6 -33.73 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 167.99 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.97 160.58 32.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.76 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' CD1' ' OH ' ' A' ' 53' ' ' TYR . 75.4 mt -41.11 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' ASP . 17.1 mm -115.51 -60.38 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -158.35 -178.39 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 19.4 m-85 -137.06 138.08 40.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 99.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.66 117.25 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' HD21 ' A' ' 55' ' ' LEU . 11.1 mt-10 -110.3 128.85 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG2' ' N ' ' A' ' 58' ' ' SER . 49.8 ttp -104.12 147.22 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.2 t -122.41 107.41 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 25.0 tt0 -75.46 96.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 56.29 -92.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -113.41 33.93 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -94.11 148.62 35.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.55 31.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 61.2 m95 -43.61 108.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -108.47 116.63 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.5 t -54.92 100.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 tp -87.9 -57.77 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.83 109.98 19.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.98 -55.51 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.1 147.17 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 135.36 88.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.19 10.2 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -84.89 0.1 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.47 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.445 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 2.6 p -117.04 2.4 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p -145.02 150.25 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 p -145.86 156.02 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.7 m -123.69 110.56 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 t -79.14 150.49 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 5.8 mttp -144.47 143.43 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 20.8 10.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -79.28 -178.61 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 57.3 t -123.45 143.96 42.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 145.02 30.9 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 64.63 50.09 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -154.03 142.36 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -83.21 146.79 28.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.563 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 44.2 m-85 -144.65 129.54 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 21.0 mt-30 -108.74 157.53 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.48 ' CB ' HD12 ' A' ' 38' ' ' LEU . 56.7 m-85 -143.13 143.04 31.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.08 109.01 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.569 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 1.8 pt? -107.3 160.85 15.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.5 p -122.63 174.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.05 121.26 44.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.29 134.93 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.3 p-10 -133.76 -171.92 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 51' ' ' ILE . 21.1 t0 -64.06 -24.06 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.6 t -69.52 -59.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.92 -169.05 40.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -87.39 118.97 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.463 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . . . -66.72 -119.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -143.07 157.18 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -84.71 159.25 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -87.12 165.03 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -58.34 159.08 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.422 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -64.3 109.42 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.8 p -52.35 152.57 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.7 tt0 -46.16 114.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 109' ' ' GLU . 10.7 ttm-85 -34.83 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.82 108.48 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -94.54 141.55 28.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -92.83 140.99 23.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.478 ' CD ' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 152.62 40.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 14.2 mt -75.25 137.78 71.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 164.42 9.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 103' ' ' GLN . . . -64.36 164.76 17.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.82 29.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.4 mt-10 -99.7 179.66 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.574 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 35.76 55.45 2.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 134.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -133.42 113.84 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.48 152.34 41.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -55.03 -178.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.1 t -109.65 97.06 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p -76.34 54.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -175.14 -43.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -96.35 165.57 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -108.62 126.94 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.8 51.19 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.52 157.85 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.67 142.37 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.96 109.8 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.577 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.99 134.38 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.5 p -141.72 125.87 17.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 39.7 p90 -137.38 179.02 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.448 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.4 m -104.68 156.12 18.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -79.3 112.4 28.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.06 176.23 10.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.786 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' ' OE1' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -72.28 98.59 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' PHE . 8.6 p-10 -39.79 -44.47 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.527 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . 115.83 -42.25 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.18 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.52 159.0 30.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.6 mt -40.52 151.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 98' ' ' ASP . 17.2 mt -104.25 -57.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -164.27 -177.24 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.1 m-85 -138.84 137.13 36.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 4.7 mm -102.72 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -86.11 114.81 23.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -105.9 129.88 53.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 ttp -105.47 143.29 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.1 t -124.56 94.97 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.1 tt0 -58.67 -153.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -69.71 95.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.39 11.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 59' ' ' GLU . . . -74.86 147.4 83.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 142.77 28.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 58' ' ' SER . 76.8 m95 -44.88 108.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -108.54 122.8 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.38 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.85 -66.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -107.87 110.46 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 54' ' ' ILE . . . -87.14 -32.84 19.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -114.1 102.88 10.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 49.2 t -123.73 153.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.79 140.72 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -91.71 33.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.98 125.2 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.49 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 15.3 p -113.77 15.53 18.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.5 p -155.51 148.8 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.07 155.19 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.7 m -117.18 108.92 16.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -75.71 147.93 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -140.05 -178.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.37 51.02 58.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 113' ' ' LEU . 34.5 mt -108.58 173.84 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.4 136.88 23.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.46 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.1 Cg_endo -75.0 138.65 23.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.477 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 77.63 43.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -150.18 140.85 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.4 m -80.85 141.51 34.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 37.8 m-85 -138.67 138.88 38.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 46.1 mt-30 -115.97 164.22 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 17.4 m-85 -147.81 141.02 25.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.51 101.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -103.32 155.1 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.6 p -121.37 170.33 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -99.3 121.44 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.486 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 75.9 t -115.8 132.21 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 39.0 p-10 -142.52 167.19 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.448 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 18.8 t0 -39.4 -37.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 HG22 ' ND2' ' A' ' 97' ' ' ASN . 44.5 t -56.38 -63.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.01 176.23 37.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.486 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 4.9 ttpt -68.85 127.92 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.58 -114.44 0.48 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -136.74 159.57 41.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.313 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 56' ' ' GLU . 47.1 m-85 -94.42 148.73 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -72.74 161.1 31.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -55.63 159.49 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.05 108.07 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' GLU . 11.4 p -46.28 140.75 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.1 tt0 -37.35 128.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -37.35 97.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 58.3 t -92.11 123.89 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -114.12 142.4 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -88.06 157.62 50.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.487 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 133.61 16.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 23.9 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -75.42 146.26 80.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.1 Cg_endo -75.02 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -100.26 156.29 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.63 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 103' ' ' GLN . . . -64.72 162.61 34.75 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.01 119.64 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.7 mp0 -81.37 173.88 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.631 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 42.12 52.32 6.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.648 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -74.96 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.3 149.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 108' ' ' THR . . . -146.74 104.89 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -120.31 165.83 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.3 mt -76.95 171.58 14.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 49.3 m -103.66 116.8 33.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 20.7 p -91.25 35.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 30' ' ' THR . 20.0 m -158.46 -44.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.77 113.79 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -56.22 134.6 53.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HD3' ' CD2' ' A' ' 113' ' ' LEU . 7.3 mmt-85 51.08 48.24 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -133.75 140.13 46.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 27' ' ' THR . 81.3 mt -119.8 141.6 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.3 m-20 -102.46 130.38 49.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 26' ' ' ALA . 1.8 tp -124.36 135.13 53.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.03 127.34 17.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 39.9 p90 -126.31 178.22 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -101.91 156.98 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' N ' HG21 ' A' ' 41' ' ' THR . 0.3 OUTLIER -78.4 112.46 26.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.439 1.757 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -87.89 126.33 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.8 p-10 -77.31 131.63 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.29 -43.27 57.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.04 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 160.97 31.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.0 36.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 138.27 58.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.3 mt -96.1 -47.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.21 -168.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.6 m-85 -146.73 132.91 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -92.82 100.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.7 118.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -110.57 137.97 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 58' ' ' SER . 40.9 ttp -115.86 145.32 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 57' ' ' MET . 0.3 OUTLIER -122.04 118.58 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 32.5 tt0 -101.53 93.36 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 61' ' ' ASN . 14.7 m-80 55.46 112.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 60' ' ' ASN . 30.3 m-80 28.02 45.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -104.91 148.76 36.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 58.0 m95 -43.87 107.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -104.13 118.32 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.98 99.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -83.79 -59.2 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -110.62 109.5 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.9 -45.06 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.04 98.88 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -118.15 151.31 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 131.88 89.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.29 15.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -96.09 5.97 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.39 135.99 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.56 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -116.14 -2.43 12.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 6.9 p -139.66 153.23 47.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.06 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.38 157.4 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.2 m -118.94 135.73 54.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.528 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.0 t -108.43 102.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.36 155.37 16.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.76 74.6 0.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 61.9 mt -127.78 166.03 18.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.9 t -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.01 148.03 34.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.21 52.21 6.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -152.76 144.95 23.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 146.12 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 18.7 m-85 -145.05 125.43 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -108.08 156.27 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.6 m-85 -142.82 135.1 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.79 116.77 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.633 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.5 pt? -117.27 160.15 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.59 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 24.6 p -126.28 165.33 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.82 127.73 36.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.17 127.47 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -134.22 -175.3 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -49.65 -57.64 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 2.9 m -42.82 -50.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 162.32 -143.45 8.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 25.3 ttmt -118.01 145.07 45.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -94.32 -113.55 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.426 ' HG2' ' CB ' ' A' ' 20' ' ' ALA . 1.4 pm0 -129.03 169.26 14.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 59.8 m-85 -98.35 167.84 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 p -93.0 154.32 18.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -52.7 160.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -71.19 111.68 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 26' ' ' ALA . 46.2 p -50.84 152.07 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 1.2 mt-10 -41.84 120.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -34.83 97.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 21.7 t -89.02 116.3 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 p -110.71 141.38 44.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.28 146.79 34.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.93 141.2 26.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.93 143.27 88.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.97 173.92 13.67 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -106.16 155.33 19.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.578 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.93 19.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.94 142.33 27.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.8 mt-10 -101.93 178.62 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.627 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 39.06 52.62 3.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.627 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.03 75.55 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.39 127.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.587 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -119.22 123.87 45.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -134.52 148.04 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -52.57 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -14.28 19.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p 39.53 52.13 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER 177.37 -50.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -89.18 167.51 13.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.6 mtt180 -59.88 -139.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.529 ' CG ' HD21 ' A' ' 113' ' ' LEU . 1.9 mpt_? -66.36 58.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . -118.09 133.62 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.537 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 63.0 mt -117.08 135.71 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -92.01 111.02 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.57 135.85 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -140.33 123.69 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.9 p90 -135.03 176.11 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 m -103.59 154.89 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 113.48 39.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.04 175.98 10.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.5 t80 -88.13 128.69 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 2.6 p-10 -78.42 133.54 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.1 -44.62 42.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.57 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 158.29 37.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.0 34.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.529 1.805 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.62 145.26 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 HD11 ' CA ' ' A' ' 98' ' ' ASP . 25.5 mt -105.02 -41.86 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -168.75 173.44 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 2.6 m-85 -128.06 136.4 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mt -105.4 101.68 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.06 128.64 35.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -120.62 123.74 43.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' A' ' 58' ' ' SER . 44.1 ttp -106.34 147.57 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.4 t -122.36 109.99 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 26.4 tt0 -77.38 92.18 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 58.67 -94.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -108.66 33.29 4.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -95.88 148.34 34.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 145.32 31.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 73.3 m95 -43.96 108.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.9 115.68 30.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.78 100.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD2' HG11 ' A' ' 80' ' ' VAL . 14.6 tp -81.09 -57.04 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.38 111.13 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.32 -67.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 106.92 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 12.3 t -120.18 153.32 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.27 127.66 92.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.08 11.5 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.86 138.09 50.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 2.0 p -115.5 4.31 14.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.3 p -145.38 148.3 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.04 152.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.1 m -104.03 133.6 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 67' ' ' LEU . 86.2 t -108.15 101.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -99.3 168.94 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.75 46.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.583 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 2.9 mp -93.84 160.68 14.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.1 t -102.23 139.27 20.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.02 142.4 27.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 69.65 48.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -153.81 144.84 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -80.73 146.94 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 21.8 m-85 -145.39 128.41 16.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -108.84 158.4 17.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -141.82 136.57 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -158.72 107.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -105.59 160.05 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 21.0 p -125.22 174.15 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.43 127.46 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 12.5 t -127.28 130.43 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -135.27 -174.2 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.464 ' CA ' HD11 ' A' ' 51' ' ' ILE . 36.9 t70 -54.79 -44.65 73.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.426 HG23 ' OD1' ' A' ' 97' ' ' ASN . 3.1 m -53.79 -42.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.11 -151.49 23.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 2.7 ttmt -112.65 142.52 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.92 -108.91 1.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -139.75 168.41 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.579 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 8.2 m-85 -99.6 159.46 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 2.9 p -79.2 157.13 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 161.65 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.24 101.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 22.0 p -42.39 150.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.6 OUTLIER -36.47 118.13 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -37.02 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 85.3 t -93.27 135.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 t -126.23 141.83 51.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -86.15 156.19 57.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.98 152.51 40.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 9.2 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD2' HG21 ' A' ' 99' ' ' VAL . 33.6 mt -81.72 138.68 47.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.08 132.93 15.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -65.2 163.71 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -65.73 163.96 30.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.92 41.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.8 mt-10 -110.74 178.58 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.635 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 41.86 52.09 6.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.95 82.99 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.72 134.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . . . -139.75 107.35 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -125.54 164.1 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 5.1 mt -59.05 165.04 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.39 111.12 22.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.4 p -84.37 11.63 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.29 -49.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 2.2 mm-40 -104.13 130.98 51.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 mmt-85 -73.86 140.61 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 61.96 29.6 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -124.35 169.54 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.49 HD12 ' CG1' ' A' ' 111' ' ' VAL . 68.1 mt -140.25 139.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.15 106.24 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD11 ' CZ3' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -95.04 125.54 39.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -140.02 123.86 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 77' ' ' SER . 34.8 p90 -130.76 179.48 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' GLU . 7.8 m -103.13 158.75 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -76.6 113.28 27.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 148.84 35.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.8 t80 -66.63 129.18 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 6.2 p-10 -79.91 130.03 34.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.99 -35.27 48.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 174.36 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.9 157.89 35.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.48 31.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.19 145.49 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.8 -51.2 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -159.15 179.52 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 94' ' ' CYS . 2.1 m-85 -133.48 137.19 45.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.5 mt -112.64 100.65 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 2.1 tp -88.64 117.06 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -105.03 118.0 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.504 ' CB ' HD12 ' A' ' 67' ' ' LEU . 58.4 ttp -101.3 141.95 33.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.582 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 t -124.77 107.51 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.6 tt0 -68.91 -162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.78 99.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.69 18.18 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HB3' ' CA ' ' A' ' 59' ' ' GLU . . . -80.35 149.03 68.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.92 29.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.637 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.9 m95 -44.37 110.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -110.79 113.28 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.13 100.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' CB ' ' A' ' 57' ' ' MET . 3.6 mt -78.93 -65.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -107.88 110.16 21.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.51 -49.89 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.52 100.07 11.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 9.1 t -123.33 152.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.4 135.35 88.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.33 9.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 7.04 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.55 126.73 52.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.9 p -108.16 -1.14 20.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 6.1 t -141.71 164.42 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 p -158.84 154.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.9 m -116.41 108.39 15.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 81' ' ' LYS . 79.2 t -79.12 145.24 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' N ' HG11 ' A' ' 80' ' ' VAL . 1.6 mtmp? -135.18 167.16 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.58 68.95 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 113' ' ' LEU . 74.0 mt -119.31 168.14 11.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.8 t -95.15 130.74 31.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -74.98 147.48 34.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . . . 64.41 52.96 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -157.45 143.99 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -80.14 154.1 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 27.1 m-85 -145.08 139.74 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 57' ' ' MET . 45.2 mt-30 -127.47 127.43 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 36' ' ' ILE . 51.1 m-85 -111.65 151.9 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.637 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -172.89 104.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.586 ' CD1' ' CD1' ' A' ' 53' ' ' TYR . 1.4 pt? -104.18 163.68 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 30.0 p -126.15 174.85 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.59 121.72 44.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.0 t -121.38 131.28 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 4.0 p-10 -138.76 -175.84 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -46.26 -59.73 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 2.3 m -40.91 -49.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 157.46 -145.8 12.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 20.5 ttmt -113.98 146.86 39.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.86 -110.78 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.96 164.87 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 9.3 m-85 -95.08 167.5 11.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 p -88.1 161.95 17.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.09 157.65 21.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 25.7 p30 -59.61 109.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 40.9 p -52.0 155.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -39.8 111.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.47 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.49 ' CG1' HD12 ' A' ' 36' ' ' ILE . 1.7 p -90.64 133.42 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -118.13 141.45 48.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -88.17 157.49 50.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.04 145.1 30.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HG2' ' CB ' ' A' ' 86' ' ' ALA . 7.3 tm-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.28 144.76 94.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.57 159.39 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 164.79 17.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.17 42.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.9 mt-10 -105.69 178.25 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.67 56.12 2.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.04 81.98 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 t -97.03 139.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -136.69 121.47 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.53 143.38 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.25 165.46 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.5 t -88.19 108.23 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.0 p -76.71 -0.07 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.31 -33.32 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . 3.1 mm-40 -114.33 151.92 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -92.36 150.88 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 45.98 35.56 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.44 133.58 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 54.1 mt -106.76 146.29 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' HG21 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -114.21 116.59 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.1 tp -102.9 139.38 38.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -141.77 122.86 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 44.0 p90 -134.45 168.36 19.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m -96.06 156.61 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.73 113.33 34.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.17 11.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.8 t80 -91.7 125.7 36.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.9 p30 -87.59 139.28 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -36.16 -71.77 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.68 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.99 159.41 37.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 123.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD1' ' OH ' ' A' ' 53' ' ' TYR . 7.1 mt -40.08 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -111.03 -52.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -166.22 175.71 8.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 17.6 m-85 -133.95 135.25 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.5 mt -97.69 99.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 120.36 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.81 129.79 55.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 63.2 ttp -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 t -124.99 104.75 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.3 tt0 -71.28 -151.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.47 95.68 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.15 13.0 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 59' ' ' GLU . . . -75.6 147.24 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.09 29.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.26 108.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -106.55 115.49 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.24 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.31 -55.64 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -117.62 110.49 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.33 -32.81 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 42.7 t -111.1 101.32 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 69.7 t -120.66 148.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.94 88.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.22 16.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -91.15 -2.87 57.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.92 127.99 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.5 p -111.94 0.17 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -143.05 150.62 39.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -143.58 157.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.9 m -120.83 136.89 54.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.87 101.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.65 164.17 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.5 69.65 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 18.2 mt -118.99 154.37 33.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG13 ' CD ' ' A' ' 87' ' ' ARG . 24.8 t -91.12 135.63 28.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.97 144.97 31.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 65.54 49.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.471 ' CD ' HG13 ' A' ' 84' ' ' VAL . 26.7 mtt180 -148.63 144.96 27.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.44 143.33 33.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 30.4 m-85 -143.9 134.03 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 7.3 mm-40 -126.14 164.68 20.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 86.1 m-85 -149.6 154.91 39.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 ptt180 -172.35 110.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.1 pt? -110.11 155.85 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 13.5 p -119.69 175.56 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.51 122.43 44.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 26.4 t -119.61 124.86 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 44.6 p-10 -135.9 170.89 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -40.67 -54.47 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.0 t -46.35 -47.99 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 156.8 -159.78 29.83 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 23.2 ttmt -107.01 141.7 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.799 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.34 -106.25 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -137.32 169.8 17.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 6.4 m-85 -100.9 145.12 29.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -64.16 155.22 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.48 162.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.1 p-10 -65.61 113.17 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 90' ' ' GLN . 12.6 p -54.05 146.92 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -37.36 110.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.3 ttt180 -30.6 97.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' GLU . 21.5 t -88.04 113.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 t -101.0 142.27 32.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.572 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.2 OUTLIER -77.18 136.56 65.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.02 129.91 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' C ' ' HA3' ' A' ' 46' ' ' GLY . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.26 140.89 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.95 165.66 30.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -105.57 159.48 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.28 164.39 24.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.48 41.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 23' ' ' HIS . 10.6 mt-10 -106.48 176.09 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.733 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 33.03 56.47 1.37 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.586 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.95 81.67 2.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.62 143.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -136.17 106.66 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -107.29 145.98 32.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 6.5 mt -56.38 177.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -121.19 66.01 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 p -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' SER . 16.1 m -75.28 -52.62 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' SER . 1.9 mm-40 -98.46 121.7 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt-85 -71.38 129.06 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 70.81 39.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 29' ' ' SER . . . -138.39 160.39 39.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.4 mt -140.11 132.24 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' THR . 13.3 m-20 -88.77 105.51 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.89 131.84 34.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.6 p -137.65 128.88 27.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.514 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 40.6 p90 -143.97 175.95 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.5 m -103.67 155.76 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 112.99 32.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.7 t80 -85.74 128.37 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -86.39 153.25 22.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 47' ' ' ASN . . . -82.19 69.75 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.1 t-20 75.4 -51.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -88.15 146.51 38.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.29 12.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 HD11 ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.73 149.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.42 -52.47 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -155.4 -173.51 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 11.1 m-85 -138.49 137.88 37.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.43 99.11 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.62 116.42 26.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.9 mt-10 -113.38 136.54 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' ' 57' ' ' MET . 7.0 tmm? -110.63 147.44 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.618 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 13.3 t -126.6 89.05 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -62.92 -168.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 62' ' ' ALA . 1.9 m-80 -41.84 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.72 29.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 60' ' ' ASN . . . -90.06 147.17 36.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.3 26.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.0 m95 -44.22 119.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 t -116.31 128.82 55.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.56 100.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 80' ' ' VAL . 12.7 tp -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.68 109.95 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.41 -61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 100.04 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.04 147.72 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.56 137.6 88.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.27 3.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -78.89 -2.59 40.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.99 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.445 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 17.2 p -121.29 8.17 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -150.16 146.18 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.0 p -148.3 153.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -119.01 114.09 21.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 67' ' ' LEU . 48.1 t -85.83 149.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.08 158.73 43.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.65 22.66 38.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.554 ' HG ' ' CZ ' ' A' ' 89' ' ' TYR . 1.1 mp -81.63 160.15 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.37 135.7 23.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.6 29.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 70.63 47.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -155.57 149.81 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.12 150.18 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.2 m-85 -145.56 119.66 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 57' ' ' MET . 82.4 mt-30 -109.12 128.32 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -111.84 152.4 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.65 ' NH1' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -168.95 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.514 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.05 161.72 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.524 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 20.5 p -125.68 175.11 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.43 121.58 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.44 132.63 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 99' ' ' VAL . 46.7 p-10 -138.92 165.71 26.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' ASN . 56.5 t0 -39.38 -47.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 HG22 ' ND2' ' A' ' 97' ' ' ASN . 21.2 t -50.58 -61.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.25 -172.44 41.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -70.14 146.46 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.2 -109.32 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.84 156.63 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CD2' ' NH1' ' A' ' 92' ' ' ARG . 39.2 m-85 -100.56 143.36 30.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 p -75.6 149.09 38.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 162.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -67.99 115.45 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLU . 17.9 p -49.26 145.08 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -38.04 127.43 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.5 OUTLIER -38.06 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 109' ' ' GLU . 53.8 t -88.26 119.51 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 136.21 46.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.87 140.73 23.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.453 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 149.09 36.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.572 ' CD1' HG22 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.07 148.37 51.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 64.2 m170 -98.23 147.49 24.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.2 164.21 19.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -75.05 120.65 6.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 4.7 mt-10 -86.98 175.73 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.641 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 38.58 52.55 3.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.605 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.1 Cg_endo -74.97 77.82 3.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.2 128.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 38' ' ' LEU . . . -115.36 121.47 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -117.62 149.16 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.46 177.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.485 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . 20.1 m -109.99 99.57 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -74.62 -6.03 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 32' ' ' GLU . 20.3 m -108.92 -51.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 2.0 tm-20 -96.5 123.89 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -71.79 140.07 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 59.71 39.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 29' ' ' SER . . . -134.97 151.34 50.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 83' ' ' LEU . 68.6 mt -132.31 125.86 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' THR . 9.7 m-20 -92.48 114.9 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 26' ' ' ALA . 1.5 tp -94.1 145.62 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -147.06 121.19 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CH2' HD11 ' A' ' 93' ' ' LEU . 45.2 p90 -129.42 -175.76 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.056 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 m -106.09 155.26 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 112.83 34.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 175.85 10.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 38.1 t80 -86.84 152.17 22.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 2.6 p-10 -97.39 126.24 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -53.56 -40.01 61.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 6.4 m-80 -178.31 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.71 158.8 35.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.41 42.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.51 136.07 54.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.57 -52.37 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 0.2 OUTLIER -165.68 -169.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.616 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.8 m-85 -142.81 144.61 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.96 99.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.8 120.08 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 4.0 mt-10 -112.52 123.24 49.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 ttp -103.6 138.12 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.94 118.62 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 16.8 tt0 -133.06 137.46 46.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 63.84 69.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ASN . 21.8 m-80 36.19 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . -90.9 150.34 41.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.45 34.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 67.7 m95 -43.06 109.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -104.22 114.73 29.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.36 100.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 80' ' ' VAL . 10.0 tp -86.66 -59.59 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.01 109.82 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.51 -40.89 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 22.6 t -101.56 100.34 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -121.59 152.36 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.3 138.12 86.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.86 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -86.53 9.83 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.56 138.22 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.467 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 11.6 p -122.64 4.46 9.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.0 p -148.72 144.29 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -141.59 156.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.9 m -113.6 137.07 52.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 91' ' ' PHE . 64.2 t -110.64 101.37 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -94.37 164.21 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.28 70.33 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 43.1 mt -123.56 167.54 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.2 t -101.92 130.53 24.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.01 141.32 26.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 74.95 45.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -153.41 150.11 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 m -79.68 149.17 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 11.4 m-85 -145.78 128.28 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 37.2 mt-30 -113.97 161.87 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -149.35 142.7 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -164.08 112.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.583 HD11 ' CH2' ' A' ' 40' ' ' TRP . 1.2 pt? -113.43 152.98 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 7.5 p -115.62 173.72 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 114.53 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 54.9 t -111.88 130.24 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 2.4 p-10 -140.43 176.57 8.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' ASN . 22.8 t70 -39.91 -58.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 17' ' ' LEU . 1.8 m -40.97 -50.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.57 -134.14 3.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HD3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 ttmt -128.81 136.37 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -91.8 -118.48 2.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 2.3 pt20 -116.0 173.56 6.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.3 m-85 -107.81 168.67 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.9 p -89.03 141.07 28.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.86 158.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 16.2 p30 -56.96 119.91 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 26.9 p -62.3 155.5 24.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 2.1 mt-10 -39.16 112.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -35.0 99.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 79.8 t -95.6 122.75 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 t -112.72 142.25 45.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 142.58 29.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.1 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 10.6 tp-100 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.583 ' CD1' HG21 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.35 147.66 57.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 55.4 m170 -94.25 147.76 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' PRO . . . -63.74 162.93 24.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.49 ' CG ' ' O ' ' A' ' 93' ' ' LEU . 18.2 Cg_endo -75.03 130.62 13.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.455 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.4 mt-10 -96.19 178.08 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 39.91 52.08 4.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.564 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.64 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.01 82.7 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -95.95 125.75 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -126.08 106.93 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -126.67 152.7 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.8 mt -45.19 169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -26.64 15.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p 48.49 22.28 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.4 -55.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 1.5 tm-20 -95.02 125.89 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -55.45 126.93 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 55.92 55.17 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -141.24 148.61 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 83' ' ' LEU . 79.1 mt -126.27 142.54 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.73 105.26 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.521 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -90.62 128.23 36.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -138.99 131.63 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 36.1 p90 -140.28 -175.31 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 m -109.69 155.91 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -80.49 112.8 34.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 176.06 10.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 48.8 t80 -83.31 158.96 22.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.557 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 4.5 p-10 -102.7 124.98 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -54.88 -31.09 54.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 4.5 m-20 171.36 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.63 155.03 38.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 135.67 19.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -49.6 139.41 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 mt -104.71 -54.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -162.37 -178.23 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 17.0 m-85 -136.59 142.17 43.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 66.4 mt -105.01 98.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -87.59 107.7 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 55' ' ' LEU . 19.4 mt-10 -102.41 123.03 45.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.43 ' CB ' HD12 ' A' ' 67' ' ' LEU . 57.2 ttp -100.89 146.26 27.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.99 106.93 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.3 tt0 -69.68 -167.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -54.11 100.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 56.11 22.73 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' HB2' ' CA ' ' A' ' 59' ' ' GLU . . . -87.01 148.79 46.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.26 32.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.61 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.33 114.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.1 t -114.72 113.84 24.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.6 100.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.43 HD12 ' CB ' ' A' ' 57' ' ' MET . 5.7 mt -82.72 -62.37 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -109.7 109.68 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.11 -46.9 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.72 100.74 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 70.9 t -122.82 145.57 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -69.92 137.72 87.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.36 9.28 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.73 -22.32 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 72' ' ' ASP . . . -78.78 126.16 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -109.08 2.56 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.6 p -144.24 152.5 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 p -145.92 156.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -118.47 106.46 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 91' ' ' PHE . 95.8 t -75.24 153.37 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -143.9 166.72 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.97 30.9 58.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.494 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 1.1 mp -84.34 175.53 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 72.6 t -115.42 143.19 29.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 145.56 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.459 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 57.69 50.1 11.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -147.23 140.79 25.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 m -80.0 145.27 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 36.4 m-85 -144.0 128.25 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 34.7 mt-30 -110.35 146.48 35.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 80' ' ' VAL . 50.5 m-85 -128.89 146.57 50.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.61 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -168.58 105.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 2.0 pt? -109.05 156.18 20.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.608 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 28.7 p -121.17 174.83 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 118.75 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 41.0 t -114.85 124.21 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.2 p-10 -129.43 -175.07 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -49.02 -53.2 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 17' ' ' LEU . 2.0 m -45.08 -50.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.85 -134.71 3.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG3' ' CG2' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -128.22 137.55 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.419 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -95.18 -117.1 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 20' ' ' ALA . 1.6 pt20 -118.92 166.81 12.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 4.7 m-85 -98.12 -176.26 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 5.1 p -98.5 149.56 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.97 157.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.421 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -62.92 105.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 18.0 p -47.91 145.23 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' THR . 1.5 tt0 -36.5 121.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.8 ttt180 -37.9 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.8 t -90.76 133.49 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.3 t -122.48 139.45 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -88.21 157.15 51.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.455 ' HD2' ' CD2' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.05 149.93 37.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 11.5 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 2.1 pt20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.26 145.78 98.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.31 153.1 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.21 162.15 34.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.616 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -92.46 169.43 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.3 m-70 45.61 51.05 8.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.02 142.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . . . -136.85 104.84 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.31 155.33 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 3.5 mt -77.81 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.26 115.17 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -82.87 9.57 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.51 -44.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -101.86 135.92 42.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -78.04 148.67 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 44.28 48.53 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.01 132.92 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 96.2 mt -112.88 151.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' HG22 ' A' ' 36' ' ' ILE . 1.9 m-20 -116.36 118.42 32.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tp -113.27 137.78 50.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.19 125.54 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -125.98 177.8 6.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.477 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 61.2 m -102.01 156.55 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.63 111.65 19.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.1 10.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -82.07 126.97 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.7 p-10 -84.23 140.54 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.75 53.5 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.81 22.69 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' HG11 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -133.67 141.55 40.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.52 5.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -43.27 148.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mt -111.95 -58.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -160.11 172.26 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 14.1 m-85 -132.64 129.65 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 74.9 mt -90.9 99.6 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -87.6 114.73 24.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' HD22 ' A' ' 55' ' ' LEU . 27.5 mt-10 -109.89 135.48 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.475 ' C ' ' SD ' ' A' ' 57' ' ' MET . 6.7 tmm? -112.25 148.32 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.594 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 45.8 t -125.61 88.97 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.591 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.0 tt0 -60.86 -152.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ALA . 13.0 m-20 -62.09 105.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.9 24.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 60' ' ' ASN . . . -86.37 146.49 42.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.27 31.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.613 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 75.2 m95 -43.68 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -108.73 133.26 53.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.68 100.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 57' ' ' MET . 7.2 mt -80.92 -55.32 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -120.6 109.21 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.64 -69.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 100.16 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 6.0 t -114.45 152.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.72 131.75 91.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.07 12.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -93.59 14.74 17.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.67 141.45 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 1.1 p -119.94 -2.38 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.8 p -142.03 149.33 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.84 157.21 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 53.6 m -114.04 130.67 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 91' ' ' PHE . 41.9 t -106.4 100.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -100.46 162.17 13.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.93 56.62 5.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 12.0 mt -108.14 157.4 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 95.8 t -86.75 141.47 33.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.94 28.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.67 50.04 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -147.51 141.25 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -80.49 147.4 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.591 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 29.6 m-85 -144.55 130.73 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.74 170.29 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 72.1 m-85 -152.87 143.16 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -166.21 103.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.7 pt? -107.18 158.02 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 30.7 p -124.32 174.3 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.74 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -122.97 122.59 66.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.9 p-10 -132.37 -177.42 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -51.07 -54.41 25.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 48' ' ' SER . 4.4 m -44.47 -42.36 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.02 -148.0 18.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.148 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 12.3 ttmt -113.12 150.97 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -100.0 -119.02 4.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 161.89 32.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -91.59 146.47 23.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 p -71.33 155.76 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.64 165.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 3.5 p-10 -72.56 109.15 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 24.8 p -54.6 150.83 8.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -38.79 119.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -38.71 114.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' TYR . 3.3 t -95.54 125.61 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.2 p -106.16 137.62 43.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.56 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -79.22 148.57 71.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.0 122.67 7.35 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.6 144.82 49.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.99 -178.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -119.22 157.7 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 103' ' ' GLN . . . -63.75 163.21 22.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.5 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' HIS . 3.5 mt-10 -97.38 178.25 5.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.597 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.23 54.54 3.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.597 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 79.8 2.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -95.96 122.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.592 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -121.26 106.0 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 146.55 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 3.3 mt -65.53 170.2 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' ALA . 32.8 p -85.76 119.38 26.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.0 p -86.82 14.24 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 32' ' ' GLU . 14.6 m -137.82 -52.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 1.6 mm-40 -84.95 160.98 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -101.54 139.79 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 51.92 47.57 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . . . -142.53 130.03 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 96.2 mt -111.25 136.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 104.24 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.592 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.82 127.2 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 p -138.91 127.34 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 77' ' ' SER . 44.1 p90 -136.47 -177.05 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -108.91 156.07 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.52 113.5 37.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.02 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.9 t80 -84.12 128.55 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 11.1 p-10 -81.54 129.27 34.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -44.68 -45.15 8.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -178.81 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -93.44 160.23 33.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.17 40.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.61 139.94 49.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.88 -53.75 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -151.41 167.52 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 1.6 m-85 -127.32 128.95 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 60.0 mt -95.08 126.7 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -116.95 117.88 30.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -108.22 123.03 48.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.421 ' SD ' ' CD1' ' A' ' 67' ' ' LEU . 56.2 ttp -103.12 145.74 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -124.62 115.1 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -87.77 94.0 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 30.8 m-20 62.86 -97.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 16.47 22.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . -74.82 150.25 86.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.66 29.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 70.6 m95 -43.12 108.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 65' ' ' THR . 2.2 t -110.11 105.63 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 p -54.84 101.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' CD1' ' SD ' ' A' ' 57' ' ' MET . 9.9 mt -81.0 -50.71 9.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -112.01 110.42 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.75 -60.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.91 102.04 14.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 53.2 t -118.42 153.68 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 132.28 92.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.09 20.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.774 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -101.17 7.72 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.97 142.93 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.532 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -123.58 3.0 8.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 3.1 p -146.88 156.47 43.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 68' ' ' LEU . 5.4 p -153.17 156.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -113.18 134.97 54.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.2 107.15 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.48 ' HG2' ' CB ' ' A' ' 35' ' ' ALA . 14.5 mtmt -109.8 150.21 28.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.44 10.41 36.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -67.36 157.41 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 84.8 t -91.36 142.59 27.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 144.05 29.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . . . 61.94 47.44 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -148.79 149.94 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 55.2 m-85 -144.35 131.1 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -110.2 149.41 30.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.581 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -165.93 105.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.521 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.0 pt? -112.76 153.54 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.525 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 13.8 p -120.62 175.81 5.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.19 140.56 37.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -137.33 132.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.572 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -134.62 -175.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.72 -33.75 73.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 4.3 m -63.39 -37.43 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.43 ' N ' HG21 ' A' ' 99' ' ' VAL . . . 152.36 -149.43 21.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 22.6 ttmt -119.85 153.93 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -105.2 -130.19 6.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -119.21 158.2 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.525 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 18.9 m-85 -88.6 162.05 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -82.14 155.13 25.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.86 157.48 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 2.7 p30 -59.04 109.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 18.4 p -52.69 150.49 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -37.81 124.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 36' ' ' ILE . 6.7 t -93.66 124.29 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -107.04 140.65 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.535 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -79.55 151.02 74.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.535 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.01 115.33 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 86' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.24 140.11 87.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -99.13 171.83 7.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -74.51 163.76 65.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.81 41.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.8 mt-10 -105.15 179.26 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.34 56.22 2.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.99 80.3 2.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.64 144.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' CB ' HD13 ' A' ' 38' ' ' LEU . . . -140.32 110.95 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -119.83 153.79 35.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 2.6 mt -75.01 170.31 16.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 75.2 m -92.55 122.53 35.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.1 p -91.33 25.48 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -150.22 -48.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' N ' HG12 ' A' ' 31' ' ' VAL . 1.5 mm-40 -90.4 122.52 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -68.97 134.15 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 57.24 51.08 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -145.63 132.22 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 94.9 mt -114.45 141.76 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.0 m-20 -104.55 105.7 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD13 ' CB ' ' A' ' 26' ' ' ALA . 2.1 tp -87.98 140.72 29.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.8 p -143.62 122.35 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.4 p90 -134.14 171.43 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 m -94.47 159.09 15.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -75.89 113.39 26.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.1 152.54 40.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -64.48 153.23 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.0 p-10 -115.28 120.67 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -35.38 -49.52 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 170.47 38.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.17 155.79 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.08 118.79 5.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' PRO . 33.6 mt -39.42 145.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -99.27 -55.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -164.5 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 19.8 m-85 -141.0 149.97 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.424 HD11 ' CD ' ' A' ' 101' ' ' LYS . 79.2 mt -109.64 107.91 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD12 ' CG1' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -85.97 117.71 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.76 126.95 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 65.8 ttp -110.71 140.85 44.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.597 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 4.7 t -125.31 100.59 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -68.24 -160.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.34 97.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 57.89 19.97 6.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.44 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -83.39 148.91 56.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.35 27.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CH2' ' HG2' ' A' ' 92' ' ' ARG . 58.1 m95 -45.63 119.76 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -119.75 111.89 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -54.72 113.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 0.2 OUTLIER -86.8 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.24 110.3 21.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.83 25.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.64 99.56 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 10.0 t -120.03 151.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 140.44 87.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -92.76 16.66 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.16 132.53 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.451 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 1.3 p -120.3 2.3 10.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -145.37 145.25 31.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 55' ' ' LEU . 7.9 p -145.24 156.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -110.04 136.37 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 85.2 t -110.47 100.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -97.59 151.21 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.08 69.23 1.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 31.2 mt -119.94 157.68 28.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 37.3 t -86.41 136.53 35.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 139.73 24.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 115' ' ' GLU . . . 63.95 48.33 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' CD ' HG13 ' A' ' 84' ' ' VAL . 26.6 mtt180 -147.74 147.35 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -83.42 148.85 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.0 m-85 -145.32 125.97 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' MET . 39.7 mt-30 -115.02 136.12 53.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.45 159.61 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.632 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -178.05 116.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.4 pt? -116.31 166.1 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.4 p -128.76 175.49 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.46 129.81 45.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 69.4 t -127.13 119.76 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.416 ' ND2' HG23 ' A' ' 99' ' ' VAL . 38.5 p-10 -132.96 172.06 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASN . 46.6 t0 -39.01 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.416 HG23 ' ND2' ' A' ' 97' ' ' ASN . 23.9 t -53.1 -64.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.91 37.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.436 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 5.3 ttpp -69.48 138.28 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.82 -112.67 3.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 4.2 pt20 -130.15 159.04 38.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 29.5 m-85 -98.23 156.26 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.6 p -78.86 157.93 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 1.1 mppt? -60.25 161.08 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -65.58 112.26 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.4 p -50.79 -178.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.19 120.53 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.2 ttt180 -36.31 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 17.5 t -87.93 108.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -95.28 140.74 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.562 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -74.26 150.58 87.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.92 119.06 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.48 ' CG ' ' HB1' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -69.76 148.85 96.69 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.99 -179.65 5.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -111.84 151.93 28.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.74 161.81 33.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.64 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.95 120.21 5.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.05 172.75 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 m-70 42.83 52.49 7.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.03 93.01 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.535 1.808 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' HD23 ' A' ' 38' ' ' LEU . 1.6 m -97.87 141.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.49 104.22 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 157.77 42.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 5.5 mt -55.69 172.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -86.34 -19.48 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p 45.24 25.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -155.92 -51.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -97.72 124.04 41.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.22 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 0.5 OUTLIER 53.85 46.31 26.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -140.18 139.91 35.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 51.3 mt -121.01 152.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.26 101.78 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.494 HD12 ' CE3' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -97.64 121.49 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.7 135.61 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.64 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -134.39 -174.0 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.466 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m -107.95 156.73 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 112.08 23.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.5 Cg_endo -74.91 175.8 10.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 5.2 t80 -88.98 124.62 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.8 p-10 -82.69 121.73 27.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -37.1 -63.48 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -173.95 34.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.25 154.09 29.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -43.62 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -114.0 -58.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -161.07 171.66 18.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.7 m-85 -133.59 128.48 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -91.52 103.15 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -92.41 111.79 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' HD21 ' A' ' 55' ' ' LEU . 12.2 mt-10 -104.8 128.84 53.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -101.12 147.86 25.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.0 t -124.25 101.01 6.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.578 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 50.5 tt0 -73.78 102.47 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 56.39 -93.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -115.35 19.48 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -75.13 148.9 84.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.57 29.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.479 1.779 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 65.9 m95 -43.47 111.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.3 t -109.82 118.93 37.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.55 100.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.38 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.0 110.4 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.55 17.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.15 99.83 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 t -117.86 151.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.97 130.29 91.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.12 18.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -98.98 18.51 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.86 138.53 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.2 p -115.11 -7.21 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 8.8 p -136.62 152.15 50.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.4 156.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.8 m -115.8 119.23 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.521 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 41.6 t -96.51 103.59 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 35' ' ' ALA . 18.7 mtmt -108.81 149.21 29.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.88 25.56 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.92 162.49 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 76.9 t -94.47 143.4 26.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -75.0 146.7 32.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 61.74 50.99 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -155.29 145.12 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 m -83.93 148.2 27.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 26.7 m-85 -145.63 129.46 17.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 47.1 mt-30 -108.33 163.08 13.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 14.0 m-85 -145.26 147.06 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -166.34 111.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.8 pt? -116.9 156.38 27.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.618 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.9 p -121.32 174.36 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.33 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.42 123.86 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -131.42 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -53.99 -53.25 55.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 HG23 ' CG ' ' A' ' 97' ' ' ASN . 4.0 m -45.02 -42.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 156.37 -147.19 15.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 1.1 ttmm -113.59 148.54 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.15 -110.2 2.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -144.65 162.82 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.277 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.591 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 22.5 m-85 -93.14 156.89 16.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -82.5 146.62 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -46.28 167.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -74.19 113.75 11.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.469 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . 11.3 p -47.57 174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -66.13 128.7 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.8 ttt180 -36.42 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 21.6 t -88.4 118.62 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -105.14 139.82 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -91.25 157.53 42.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.01 143.52 29.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 11.0 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.529 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.49 148.22 61.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.64 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 165.31 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 162.33 40.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.82 40.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -110.95 179.42 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.576 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 36.27 55.68 2.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.628 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.576 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.94 77.17 3.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.67 137.94 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -134.98 120.36 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -138.03 145.87 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD22 ' CD ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -53.87 165.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.1 116.97 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 60.7 p -84.42 37.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 30' ' ' THR . 32.5 m -157.23 -45.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.76 139.54 38.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -85.57 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 57.5 32.65 22.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.92 141.15 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 82.0 mt -113.55 141.73 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -102.55 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -100.13 135.12 42.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -141.23 125.03 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 38.4 p90 -138.17 169.81 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.428 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 m -100.19 155.81 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.463 ' CE ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.99 112.83 33.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -82.38 125.81 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.6 p-10 -80.75 142.15 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.529 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -76.2 54.36 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.81 35.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.44 ' CB ' HG21 ' A' ' 99' ' ' VAL . 2.3 t -148.02 142.67 16.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 HD13 ' CE ' ' A' ' 42' ' ' LYS . 4.6 mt -43.55 150.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.03 -48.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -163.11 -175.97 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 5.5 m-85 -138.2 128.0 25.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.515 ' CG2' ' OE2' ' A' ' 56' ' ' GLU . 57.9 mt -96.62 103.73 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -92.44 126.39 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.515 ' OE2' ' CG2' ' A' ' 54' ' ' ILE . 6.7 mp0 -116.59 135.18 54.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 57' ' ' MET . 12.2 tmm? -112.05 142.87 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -125.07 99.14 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 tt0 -86.37 128.81 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 52.84 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLU . 6.7 m-20 -130.32 22.79 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 150.24 89.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.77 32.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.5 m95 -42.82 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -105.69 128.93 53.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.509 ' CG2' ' OE2' ' A' ' 56' ' ' GLU . 16.0 t -66.77 98.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 9.9 mt -75.31 -57.01 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -121.62 110.06 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.03 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.2 p -84.98 100.94 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 66.7 t -124.62 148.49 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.09 137.83 89.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -34.88 3.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.01 -5.65 47.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.95 131.2 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -112.76 -1.69 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.471 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.4 p -138.72 157.26 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 p -152.19 154.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -118.87 127.8 53.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.63 104.92 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -96.2 138.5 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.04 75.3 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 77.4 mt -129.99 163.14 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.48 138.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.54 40.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 56.24 54.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -154.74 144.1 21.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.5 m -80.27 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 22.8 m-85 -144.75 128.61 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 35.8 mt-30 -108.09 165.63 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.47 ' CE2' HG23 ' A' ' 36' ' ' ILE . 60.0 m-85 -152.6 142.39 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.86 109.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -109.42 154.53 22.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 9.4 p -118.94 175.4 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.42 124.19 47.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 16.9 t -123.94 120.42 59.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -128.03 179.55 5.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' VAL . 1.3 p30 -50.83 -39.27 52.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 48' ' ' SER . 4.8 t -59.76 -40.05 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.3 -155.58 26.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' A' ' 96' ' ' VAL . 25.7 ttmt -111.98 140.68 46.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -93.07 -115.75 2.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -124.31 172.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.8 m-85 -104.85 149.58 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 p -68.56 158.97 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.11 158.59 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 12.7 p30 -61.54 112.02 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.5 p -50.45 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.3 tt0 -71.65 120.6 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.6 ttm-85 -35.97 102.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.5 106.93 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -94.76 138.61 32.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 140.78 23.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.459 ' CD ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 140.5 25.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' CD1' HG21 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -68.08 148.39 98.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.95 141.25 26.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 43' ' ' PRO . 64.1 m170 -62.66 148.81 45.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.545 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.41 165.09 15.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.96 139.88 24.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.7 mt-10 -98.04 175.54 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 34.88 55.17 1.95 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.05 79.04 2.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -95.94 140.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -128.31 109.07 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -106.14 152.59 23.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -62.61 -179.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 m -118.37 73.22 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.5 p -45.7 -25.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -87.67 -61.06 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -68.29 143.95 55.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 113' ' ' LEU . 3.4 mtp180 50.13 49.58 20.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -144.66 148.94 34.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -126.89 124.48 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' THR . 3.8 m-20 -83.75 106.89 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD12 ' CE3' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -85.04 132.74 34.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -136.69 132.02 34.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CE3' HD12 ' A' ' 38' ' ' LEU . 43.9 p90 -146.23 -179.89 7.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.598 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.8 m -109.44 154.42 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -80.83 113.49 40.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.03 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.5 t80 -81.38 128.8 34.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.5 p-10 -75.72 128.04 34.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -45.73 -76.36 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.47 24.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.12 161.72 28.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.38 42.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.91 151.18 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.408 HD13 ' CA ' ' A' ' 98' ' ' ASP . 35.4 mt -116.18 -62.44 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -152.56 175.62 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.3 m-85 -136.89 125.12 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' CD1' ' HE2' ' A' ' 101' ' ' LYS . 9.4 mt -91.76 103.32 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -92.2 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -101.98 125.82 48.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.442 ' SD ' ' CD1' ' A' ' 67' ' ' LEU . 55.9 ttp -102.82 142.34 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.2 t -125.19 107.94 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -77.59 -165.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 101.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.97 22.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB2' ' CA ' ' A' ' 59' ' ' GLU . . . -85.12 150.83 55.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.52 30.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.665 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 53.4 m95 -44.1 111.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 65' ' ' THR . 10.0 t -110.38 101.77 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 100.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 57' ' ' MET . 10.0 mt -80.51 -52.63 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -112.93 109.76 19.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.16 -35.71 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -108.83 100.47 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.047 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 39.0 t -118.45 153.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 138.09 92.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -31.4 6.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.25 22.0 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.24 139.55 45.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 44.1 p -124.21 0.52 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -143.73 142.89 31.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.96 154.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 m -116.92 115.86 26.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.576 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 95.2 t -87.41 149.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -140.98 173.85 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.96 20.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 22.3 mt -109.7 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.459 ' N ' ' OH ' ' A' ' 89' ' ' TYR . 74.8 t -112.67 139.6 22.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 145.3 31.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . . . 60.4 50.36 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -150.17 144.1 25.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.4 m -80.21 150.46 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.8 m-85 -145.97 126.18 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -108.42 158.97 17.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CZ ' HG22 ' A' ' 80' ' ' VAL . 16.8 m-85 -142.77 147.83 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.665 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.01 104.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -110.96 152.36 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.6 p -117.67 174.29 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . . . -102.17 120.9 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -118.09 132.01 69.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.559 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.7 p-10 -141.08 -175.15 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' CA ' HD13 ' A' ' 51' ' ' ILE . 62.5 t0 -50.47 -52.34 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 17' ' ' LEU . 1.5 m -43.7 -51.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 160.15 -133.71 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 54' ' ' ILE . 15.6 ttmt -129.78 135.23 48.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -94.12 -129.32 5.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.425 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -109.34 170.83 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 43.7 m-85 -100.09 179.81 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -99.33 153.55 18.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -49.18 163.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.06 113.74 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.8 p -50.8 145.74 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -48.05 128.64 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -37.26 103.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.0 t -95.3 120.44 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p -106.27 142.51 35.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.72 156.77 49.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 134.84 18.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.481 ' HG2' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -176.8 -57.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -50.16 144.5 7.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.89 153.01 22.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.84 163.6 38.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -137.94 -59.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.54 -117.46 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.113 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 -57.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.45 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.37 110.23 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -177.73 122.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.95 172.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -46.96 154.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.2 p -92.11 125.16 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.4 mtt180 -81.91 95.01 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' NE2' HG12 ' A' ' 14' ' ' VAL . 1.1 tp-100 -91.89 155.36 18.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 19.8 mt -92.33 139.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.99 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.73 167.2 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' O ' ' NE2' ' A' ' 19' ' ' HIS . . . -63.54 162.4 27.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.13 42.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -108.81 -178.59 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.602 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.88 54.13 3.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.86 139.52 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -132.12 115.48 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.95 151.38 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -60.26 173.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -104.11 96.62 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -70.32 58.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -178.01 -49.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.36 124.0 44.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -71.83 137.32 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 79.7 mtt180 61.33 45.79 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.08 139.13 25.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 83' ' ' LEU . 65.3 mt -121.27 137.51 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -93.78 107.24 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.543 HD11 ' CE3' ' A' ' 40' ' ' TRP . 0.4 OUTLIER -87.08 133.28 33.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 p -136.43 130.57 32.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 77' ' ' SER . 40.1 p90 -140.82 175.48 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 20.3 m -100.59 158.4 15.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -76.78 113.24 27.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.99 161.39 38.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' ASP . 4.1 t80 -64.27 104.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -36.1 -64.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ASN . . . 108.79 58.89 0.54 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 1.4 m120 69.54 -53.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -91.63 150.24 40.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.77 41.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.24 169.74 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -124.66 -55.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -157.94 175.8 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 12.4 m-85 -130.12 151.0 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 42.4 mt -118.1 98.25 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -90.57 109.47 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' HD22 ' A' ' 55' ' ' LEU . 14.0 mt-10 -102.23 130.04 48.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.445 ' CE ' HD12 ' A' ' 67' ' ' LEU . 59.5 ttp -101.25 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 t -124.83 101.33 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CA ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 tt0 -68.33 -167.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -55.09 96.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.01 27.08 15.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.496 ' HB3' ' CA ' ' A' ' 59' ' ' GLU . . . -90.46 148.2 38.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.35 31.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.3 m95 -47.92 114.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -114.25 117.1 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.23 101.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 HD12 ' CE ' ' A' ' 57' ' ' MET . 6.9 mt -86.74 -63.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.19 110.22 21.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.84 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -89.72 99.98 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 53' ' ' TYR . 3.6 t -122.29 148.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.09 130.24 91.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.526 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.6 Cg_endo -74.94 -23.05 14.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -82.85 -8.42 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 140.48 29.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -118.41 1.71 11.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.8 p -144.17 147.09 33.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.89 156.56 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.0 m -116.48 120.78 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.535 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 61.3 t -92.27 107.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -98.17 156.47 16.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.17 76.79 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 95.2 mt -129.55 164.99 22.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.769 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.85 132.59 32.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.491 ' CG ' ' OG ' ' A' ' 116' ' ' SER . 18.3 Cg_endo -75.02 142.88 28.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 66.05 46.41 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -147.73 147.12 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -80.33 146.6 31.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 17.1 m-85 -144.29 129.0 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.49 151.88 27.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CZ ' ' CG2' ' A' ' 80' ' ' VAL . 11.0 m-85 -133.93 145.57 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.597 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.46 107.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.537 HD13 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -113.31 150.12 32.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLN . 20.7 p -114.63 175.34 5.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -105.58 127.77 53.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 21.9 t -121.19 129.99 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.439 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 49.4 p-10 -135.95 173.79 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -44.78 -47.07 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.419 HG22 ' CG ' ' A' ' 15' ' ' ARG . 24.3 t -52.51 -54.07 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 165.88 -159.74 33.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HG3' ' CG2' ' A' ' 96' ' ' VAL . 14.8 ttmt -107.75 132.58 53.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.15 -111.0 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 3.9 pm0 -137.03 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 7.5 m-85 -98.02 150.29 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 163.17 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 160.97 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' GLU . 15.7 p -47.78 144.66 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 2.4 tt0 -38.07 127.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.92 99.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.7 130.87 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -120.87 140.78 51.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.78 156.29 55.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.474 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 11.6 tt0 -66.39 141.91 57.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' A' ' 85' ' ' PRO . 69.5 p -124.89 116.84 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.74 -158.12 24.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.63 41.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.86 116.98 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -111.04 119.65 39.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.006 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.56 170.99 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -148.31 126.01 11.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.38 -85.86 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 62.15 110.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.974 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.67 145.12 38.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.84 -72.71 1.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.06 165.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -106.58 146.88 30.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.18 162.35 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.31 -172.55 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.544 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt 60.08 -177.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.06 112.03 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 p -100.15 126.72 53.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -84.71 94.14 8.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -105.39 178.56 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 mt -85.15 140.2 36.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.85 38.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 165.41 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.54 163.88 30.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.05 34.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -117.82 179.23 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.601 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 37.87 54.52 3.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.98 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 t -97.13 132.2 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 38' ' ' LEU . . . -133.11 107.42 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -129.12 158.77 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.7 mt -47.29 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -28.88 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p 52.09 29.74 6.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 32' ' ' GLU . 34.3 m -150.56 -54.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -93.72 121.21 34.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -52.7 127.41 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 3.1 mmp_? 54.67 51.26 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -135.97 156.98 47.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 111' ' ' VAL . 51.3 mt -132.82 147.82 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' N ' HG21 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -95.02 103.31 15.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.529 HD11 ' CZ3' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -86.73 128.17 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -139.29 125.89 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.529 ' CZ3' HD11 ' A' ' 38' ' ' LEU . 38.6 p90 -139.2 168.82 18.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 m -93.86 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.71 112.31 23.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.94 176.13 10.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.626 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -86.36 127.68 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.626 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.3 p-10 -89.21 154.44 20.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -79.75 59.79 4.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 76.08 -45.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -89.47 151.07 45.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.69 14.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -51.16 153.13 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.58 -53.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -154.93 -178.42 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 12.8 m-85 -135.85 133.3 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 ' CD1' ' HE2' ' A' ' 101' ' ' LYS . 41.5 mt -96.82 100.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' CD1' HD23 ' A' ' 93' ' ' LEU . 1.9 tp -89.3 118.76 29.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -110.62 124.26 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' CE ' HD11 ' A' ' 67' ' ' LEU . 58.7 ttp -100.86 136.58 40.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.7 t -124.9 101.07 6.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.9 tt0 -62.04 -147.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -71.43 96.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.66 12.14 7.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.76 146.87 86.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 146.89 32.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.6 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.5 m95 -48.92 112.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -112.39 115.27 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.07 101.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 HD11 ' CE ' ' A' ' 57' ' ' MET . 7.6 mt -85.22 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.26 110.24 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.04 17.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.56 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.7 t -125.76 152.81 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 135.8 88.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.05 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -88.52 11.1 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.85 136.32 43.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.527 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 74.6 p -120.53 0.71 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -139.91 151.91 45.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -154.25 154.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -115.76 106.02 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 91' ' ' PHE . 92.8 t -73.45 150.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 14.4 mttm -135.7 -178.79 5.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.16 60.34 8.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.577 HD23 ' CE1' ' A' ' 89' ' ' TYR . 87.8 mt -114.8 171.57 7.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 76.6 t -107.98 143.06 26.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.0 153.12 41.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 49.18 58.7 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -153.6 143.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.7 m -79.94 152.36 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' HD23 ' A' ' 83' ' ' LEU . 19.1 m-85 -145.94 142.7 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -130.52 127.21 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 80' ' ' VAL . 45.4 m-85 -113.48 152.64 29.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.6 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -170.33 108.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.524 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.06 158.19 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 22.6 p -121.86 175.02 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.29 122.11 44.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.406 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 21.3 t -118.01 130.33 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' GLY . 47.3 p-10 -137.5 166.72 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -39.64 -48.48 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.62 -50.39 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 161.02 -162.8 33.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' A' ' 54' ' ' ILE . 1.8 ttmt -105.33 143.97 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -95.5 -112.41 2.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -132.31 167.95 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 4.7 m-85 -100.97 153.53 19.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -70.27 162.52 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.56 158.84 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -59.59 112.38 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 43.9 p -53.22 160.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' VAL . 2.1 mt-10 -49.14 116.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 5.6 ttp180 -37.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 36' ' ' ILE . 5.2 p -92.07 124.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -107.11 143.75 34.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.475 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -89.76 156.91 47.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -74.99 146.89 33.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 7.0 tt0 -63.05 147.83 49.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -167.93 127.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 71.92 -178.58 36.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -48.45 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.6 t 48.93 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.52 125.33 31.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m 59.85 91.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.943 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -50.71 166.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 164.22 23.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -89.22 -57.22 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.51 -55.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.33 85.21 1.84 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.48 159.39 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -119.43 90.5 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.51 -62.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -57.54 154.75 10.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.68 108.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 106.93 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p -110.59 127.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -76.23 87.89 3.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.59 171.77 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -57.65 141.64 79.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.67 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.7 158.74 25.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 103' ' ' GLN . . . -67.73 164.83 36.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.591 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.99 140.96 26.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 170.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.5 m-70 47.47 50.36 8.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 106.45 2.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.05 152.05 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -145.91 105.63 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 146.61 47.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 3.2 mt -48.85 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.495 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . 17.6 m -102.55 93.97 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 p -74.87 55.89 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.68 -42.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.45 115.18 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -64.6 144.46 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 57.76 34.79 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.495 ' HB3' ' CB ' ' A' ' 29' ' ' SER . . . -133.95 161.41 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 HD13 ' CD2' ' A' ' 83' ' ' LEU . 90.1 mt -139.91 143.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' N ' HG21 ' A' ' 36' ' ' ILE . 1.6 m-20 -101.53 128.9 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 26' ' ' ALA . 3.8 tp -123.56 137.34 54.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.5 127.37 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 41.3 p90 -130.24 178.43 6.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.479 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -101.65 156.52 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 111.29 16.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.6 t80 -98.54 125.27 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 14.5 t0 -88.75 143.63 26.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.81 -67.25 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -170.77 32.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -143.68 157.67 58.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 123.31 7.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -43.33 146.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 mt -100.99 -57.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -161.36 -178.41 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 12.5 m-85 -135.09 134.12 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.57 105.66 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.32 122.33 33.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -116.9 126.11 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.402 ' SD ' ' CD1' ' A' ' 89' ' ' TYR . 57.9 ttp -101.14 141.7 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.59 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 9.1 t -124.56 99.08 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.598 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.2 tt0 -62.63 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.29 92.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.18 18.77 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -82.04 148.41 60.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.56 30.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 66.1 m95 -49.4 108.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -107.49 119.01 38.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.84 100.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.59 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.76 110.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.04 -35.84 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 100.62 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.4 149.46 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 136.13 87.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HG2' ' NZ ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.99 -22.69 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' NZ ' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -91.1 9.51 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 129.86 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -112.38 -5.41 14.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 7.0 p -137.34 148.1 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.55 150.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.4 m -118.87 111.67 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' CE1' ' A' ' 91' ' ' PHE . 12.0 t -81.85 149.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -144.29 150.83 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.29 17.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 1.6 mp -81.6 157.74 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.23 132.82 29.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.477 ' CG ' ' HB2' ' A' ' 116' ' ' SER . 18.4 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 74.74 46.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -158.19 146.08 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 m -81.64 152.48 27.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 24.6 m-85 -145.47 136.3 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -123.71 127.95 48.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE1' HG22 ' A' ' 80' ' ' VAL . 51.2 m-85 -110.59 155.22 22.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -179.23 114.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 ' CH2' ' A' ' 40' ' ' TRP . 1.2 pt? -110.88 169.29 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 2.9 p -129.03 175.18 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.305 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.69 120.95 41.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 50.8 t -116.26 129.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 45' ' ' ASP . 44.5 p-10 -141.5 169.33 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -40.65 -37.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.09 -55.46 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.58 179.43 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 9.8 ttpp -68.86 141.77 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.11 -105.79 2.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.2 OUTLIER -137.32 161.46 36.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.536 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 17.2 m-85 -99.05 145.27 27.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -71.22 145.71 49.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.86 163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.521 ' OD1' ' CZ2' ' A' ' 64' ' ' TRP . 56.7 m-20 -79.29 109.69 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.475 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 32.3 p -44.52 154.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.45 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.4 mt-10 -43.77 130.01 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLU . 4.4 ttm-85 -38.04 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 32.4 t -97.58 121.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -108.93 142.83 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -94.61 140.19 22.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.465 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.97 117.02 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' PRO . 0.7 OUTLIER -37.56 153.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -100.44 138.18 37.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 58.33 158.21 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 66.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 t -139.5 118.5 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.7 m -95.73 89.79 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -144.14 -58.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 0.781 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -92.2 149.29 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 173.42 22.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -135.23 150.11 50.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -91.28 146.6 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.67 135.46 19.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -137.77 -57.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -114.86 100.79 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.97 161.12 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -75.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.31 -63.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.49 154.35 36.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.9 p -107.41 122.66 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 93.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' NE2' HG13 ' A' ' 14' ' ' VAL . 1.3 tp-100 -92.33 155.63 17.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -77.36 145.93 73.21 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.03 150.29 37.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.74 156.78 24.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' CB ' ' HG3' ' A' ' 103' ' ' GLN . . . -63.57 164.1 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.2 Cg_endo -74.99 129.9 12.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -88.64 179.78 6.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.96 54.56 2.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 79.36 2.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -96.72 136.01 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -133.84 106.06 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.32 149.98 40.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -72.84 164.65 26.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.6 122.38 33.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.8 p -89.17 27.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.07 -47.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.81 121.56 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -66.54 147.12 53.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 46.5 57.35 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -152.91 127.82 9.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 96.9 mt -110.69 140.28 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.53 103.65 15.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -87.42 133.31 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.5 p -145.28 126.3 14.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.6 ' CZ2' HD12 ' A' ' 93' ' ' LEU . 29.9 p90 -133.23 179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -103.46 156.15 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 112.49 27.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 176.23 10.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 4.2 t80 -89.81 125.4 35.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.3 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.73 -63.62 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -171.34 32.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -154.89 154.89 29.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.53 11.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -43.91 155.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.426 HD13 ' CA ' ' A' ' 98' ' ' ASP . 16.9 mt -116.09 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -158.15 177.85 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 3.5 m-85 -132.81 134.91 45.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.419 HD11 ' CD ' ' A' ' 101' ' ' LYS . 28.3 mt -103.94 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.05 124.62 32.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 66' ' ' VAL . 1.8 mm-40 -112.68 120.58 42.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.1 ttp -102.29 139.52 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -124.73 114.39 19.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.5 tt0 -76.56 -146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -72.9 97.81 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.03 14.95 4.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.47 149.0 83.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.81 29.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 73.8 m95 -43.9 115.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -117.37 110.13 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 54.9 t -55.03 101.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.72 -61.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.2 mt -109.18 114.21 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.0 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.81 102.45 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 23.5 t -123.21 152.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 134.27 89.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.91 12.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.807 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -90.97 19.21 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.26 137.29 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.7 p -119.22 -0.08 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.547 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 10.5 p -142.03 150.54 41.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.5 p -147.98 156.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.431 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 33.9 m -113.75 132.28 55.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 54.3 t -109.89 100.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 79' ' ' THR . 7.2 mttp -105.77 143.13 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.89 -8.59 16.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -53.71 158.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 81.2 t -100.28 142.94 25.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 140.55 25.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 71.82 46.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 37.6 mtt180 -151.26 146.95 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -89.59 145.94 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.595 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 74.0 m-85 -145.1 146.12 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.572 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 23.9 mt-30 -123.06 166.51 15.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 16.8 m-85 -149.79 145.73 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -170.64 104.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.6 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -100.57 168.0 9.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 15.7 p -134.14 174.12 10.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -102.36 134.99 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 55.4 t -134.87 131.22 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -139.01 -174.27 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' OD1' ' CB ' ' A' ' 48' ' ' SER . 17.6 p-10 -53.04 -50.59 63.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 3.1 m -46.4 -51.44 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 153.26 -170.69 32.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 3.5 ttpt -74.23 153.18 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.14 -101.06 2.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HG3' ' CB ' ' A' ' 20' ' ' ALA . 1.2 pt20 -150.66 152.64 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 33.9 m-85 -87.05 172.46 9.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -98.19 162.93 12.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 163.58 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -68.55 113.45 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.5 p -53.9 146.96 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.7 tt0 -36.79 123.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.28 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 39.1 t -89.51 116.74 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.09 150.06 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.549 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -84.89 151.43 57.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.6 tt0 -37.07 -40.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.9 t 68.55 -68.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' GLU . . . -93.76 173.26 33.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -155.07 93.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -61.54 146.76 47.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.12 102.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -117.04 97.97 6.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 86.76 0.08 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -53.25 -58.33 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -156.07 -58.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.055 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -129.28 5.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.51 133.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -84.34 134.33 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.87 111.84 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.44 -59.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.581 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.44 83.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' C ' ' ND2' ' A' ' 47' ' ' ASN . 11.1 mtt180 -55.75 94.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -118.2 132.19 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -70.99 95.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 3.1 pt20 -123.97 173.08 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.23 147.62 97.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.4 Cg_endo -74.92 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -123.6 158.09 32.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 104' ' ' PHE . . . -64.29 161.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.1 Cg_endo -74.99 119.99 5.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -82.28 172.47 13.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 43.8 51.77 8.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.64 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.02 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.21 151.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -146.51 105.84 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.3 156.61 36.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 2.3 mt -61.04 165.02 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 101.64 12.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p -74.58 -0.75 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -109.56 -35.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 3.5 mm-40 -116.31 138.71 51.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -83.86 141.37 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 2.0 mtp180 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -120.5 167.17 12.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' CE2' ' A' ' 91' ' ' PHE . 88.7 mt -140.44 139.3 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' N ' HG21 ' A' ' 36' ' ' ILE . 1.6 m-20 -100.62 134.16 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.1 tp -127.62 136.39 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.47 126.09 17.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 34.2 p90 -125.94 174.25 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 107.981 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -97.78 156.89 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -77.95 112.39 24.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -75.01 175.71 10.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.7 t80 -80.88 126.76 31.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.554 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 4.2 p-10 -81.06 137.5 36.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.83 53.74 4.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 13' ' ' ARG . 42.7 t30 61.17 17.58 8.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.467 ' CB ' HG11 ' A' ' 99' ' ' VAL . 30.1 t -128.8 145.54 56.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -43.76 139.1 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 97' ' ' ASN . 10.5 mm -96.28 -59.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -162.17 -165.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.8 m-85 -146.4 124.73 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.37 103.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.39 121.98 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -113.57 121.8 45.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.431 ' HG2' ' N ' ' A' ' 58' ' ' SER . 51.4 ttp -100.88 148.07 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.5 t -124.46 112.5 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 3.4 tt0 -78.5 97.75 5.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 55.11 -94.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.99 37.44 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 59' ' ' GLU . . . -97.87 150.8 37.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.49 30.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 63.6 m95 -43.31 110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.8 114.13 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.47 101.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.4 -61.59 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -108.34 110.52 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' ARG . . . -90.63 -26.03 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.69 100.44 7.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 42.5 t -123.81 151.6 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.39 137.49 86.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.74 11.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.59 22.81 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.38 133.9 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -115.91 -2.24 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -139.67 150.18 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.57 157.1 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -124.92 121.99 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.408 ' C ' ' HG3' ' A' ' 81' ' ' LYS . 39.6 t -93.47 141.29 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -134.33 150.64 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 30.54 7.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -86.03 -177.92 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.437 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 86.3 t -119.63 141.8 31.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.02 140.72 25.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 67.84 47.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -152.02 140.55 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 m -81.83 148.69 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -145.33 131.09 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 43.7 mt-30 -109.24 153.99 23.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.484 ' CE2' HG23 ' A' ' 36' ' ' ILE . 59.5 m-85 -139.23 141.84 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.0 113.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.591 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -112.27 164.56 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 9.3 p -128.85 172.54 11.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.18 124.79 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.7 t -125.38 127.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.542 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -133.6 -177.17 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.4 t70 -52.73 -52.51 56.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 48' ' ' SER . 7.4 m -44.75 -46.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 161.09 -152.71 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 0.4 OUTLIER -103.96 151.47 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -109.67 -159.6 18.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.99 171.28 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 6.8 m-85 -106.51 175.22 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.7 p -101.21 149.57 23.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -54.36 159.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 3.1 p-10 -69.4 112.98 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.494 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 21.2 p -47.1 174.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -65.08 125.78 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.6 ttt180 -34.18 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' GLU . 51.9 t -87.86 118.35 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.1 p -107.19 142.34 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -90.74 156.13 45.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.04 138.4 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 6.0 tt0 -61.35 160.43 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.1 t -133.16 98.93 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -160.71 174.66 37.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.1 40.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 t -113.93 93.24 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -78.66 100.86 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.11 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.02 135.35 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.17 179.56 28.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -133.21 135.55 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.67 120.4 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.35 172.87 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.35 165.98 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -89.48 131.94 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.31 159.06 44.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -81.74 -59.1 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.2 156.29 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' ND2' ' A' ' 47' ' ' ASN . 2.4 p -105.3 135.68 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -91.35 93.5 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' CG1' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -92.99 164.69 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 15.1 mt -92.13 143.05 26.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.94 128.17 11.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 164.17 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 165.02 16.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.1 mm-40 -102.46 177.82 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.588 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 36.96 55.19 3.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.588 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.93 79.72 2.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.95 147.44 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -141.73 124.53 16.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 141.66 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD21 ' CD ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -47.88 172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -101.57 -18.23 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.5 p 45.78 25.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 1.2 t -141.14 -58.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 3.8 mm-40 -81.62 138.14 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 16.4 mmt180 -56.85 128.93 39.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 4.2 mpp_? 37.43 56.78 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -130.35 141.35 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' CD1' HD21 ' A' ' 83' ' ' LEU . 85.6 mt -117.35 145.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -103.69 114.53 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 91' ' ' PHE . 1.8 tp -100.1 145.65 27.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -149.71 123.74 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ2' HD12 ' A' ' 93' ' ' LEU . 47.5 p90 -133.18 174.07 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -102.19 155.95 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -79.39 113.4 36.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 175.39 11.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.3 t80 -85.48 128.86 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.8 p-10 -78.78 133.84 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.6 -33.73 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' ND2' HG11 ' A' ' 14' ' ' VAL . 1.7 m-20 167.99 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.97 160.58 32.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.76 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' CD1' ' OH ' ' A' ' 53' ' ' TYR . 75.4 mt -41.11 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' ASP . 17.1 mm -115.51 -60.38 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -158.35 -178.39 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 19.4 m-85 -137.06 138.08 40.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.2 99.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.66 117.25 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' HD21 ' A' ' 55' ' ' LEU . 11.1 mt-10 -110.3 128.85 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG2' ' N ' ' A' ' 58' ' ' SER . 49.8 ttp -104.12 147.22 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.2 t -122.41 107.41 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 25.0 tt0 -75.46 96.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 56.29 -92.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -113.41 33.93 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -94.11 148.62 35.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.55 31.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 61.2 m95 -43.61 108.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -108.47 116.63 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.5 t -54.92 100.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 tp -87.9 -57.77 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.83 109.98 19.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.98 -55.51 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.1 147.17 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 135.36 88.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.19 10.2 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -84.89 0.1 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.47 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.445 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 2.6 p -117.04 2.4 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p -145.02 150.25 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 p -145.86 156.02 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.7 m -123.69 110.56 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 75.3 t -79.14 150.49 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 5.8 mttp -144.47 143.43 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 20.8 10.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -79.28 -178.61 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 57.3 t -123.45 143.96 42.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 145.02 30.9 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 64.63 50.09 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -154.03 142.36 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -83.21 146.79 28.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.563 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 44.2 m-85 -144.65 129.54 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 21.0 mt-30 -108.74 157.53 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.48 ' CB ' HD12 ' A' ' 38' ' ' LEU . 56.7 m-85 -143.13 143.04 31.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.08 109.01 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.569 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 1.8 pt? -107.3 160.85 15.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.5 p -122.63 174.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.05 121.26 44.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.29 134.93 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.3 p-10 -133.76 -171.92 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 51' ' ' ILE . 21.1 t0 -64.06 -24.06 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.6 t -69.52 -59.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.92 -169.05 40.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -87.39 118.97 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.463 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . . . -66.72 -119.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -143.07 157.18 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -84.71 159.25 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -87.12 165.03 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -58.34 159.08 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -64.3 109.42 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.8 p -52.35 152.57 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.7 tt0 -46.16 114.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 109' ' ' GLU . 10.7 ttm-85 -34.83 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.82 108.48 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -94.54 141.55 28.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -92.83 140.99 23.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.478 ' CD ' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 152.62 40.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.8 128.29 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 m -109.8 -69.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.04 162.1 14.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.55 6.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 t -64.73 -59.31 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 m -86.0 109.57 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -138.58 166.12 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -96.27 154.21 17.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.38 174.8 27.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -134.2 -60.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -98.18 146.24 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.19 -161.26 11.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 58.62 100.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -157.32 105.94 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.12 139.83 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -48.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.623 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.2 mt -143.49 173.5 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -38.8 119.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.27 124.48 58.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -80.58 90.8 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -93.65 165.42 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 14.2 mt -75.25 137.78 71.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 164.42 9.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 103' ' ' GLN . . . -64.36 164.76 17.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.82 29.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.4 mt-10 -99.7 179.66 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 35.76 55.45 2.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.574 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 134.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -133.42 113.84 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.48 152.34 41.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -55.03 -178.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.1 t -109.65 97.06 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p -76.34 54.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -175.14 -43.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -96.35 165.57 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -108.62 126.94 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.8 51.19 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.52 157.85 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -133.67 142.37 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.96 109.8 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.577 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.99 134.38 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.5 p -141.72 125.87 17.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 39.7 p90 -137.38 179.02 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.448 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.4 m -104.68 156.12 18.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -79.3 112.4 28.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.06 176.23 10.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.786 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' ' OE1' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -72.28 98.59 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' PHE . 8.6 p-10 -39.79 -44.47 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.527 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . 115.83 -42.25 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.18 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.52 159.0 30.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.6 mt -40.52 151.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 98' ' ' ASP . 17.2 mt -104.25 -57.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -164.27 -177.24 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.1 m-85 -138.84 137.13 36.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 4.7 mm -102.72 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -86.11 114.81 23.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -105.9 129.88 53.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 39.1 ttp -105.47 143.29 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.1 t -124.56 94.97 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.1 tt0 -58.67 -153.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -69.71 95.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.39 11.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 59' ' ' GLU . . . -74.86 147.4 83.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 142.77 28.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 58' ' ' SER . 76.8 m95 -44.88 108.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -108.54 122.8 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.38 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.85 -66.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -107.87 110.46 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 54' ' ' ILE . . . -87.14 -32.84 19.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -114.1 102.88 10.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 49.2 t -123.73 153.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.79 140.72 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -91.71 33.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.98 125.2 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.49 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 15.3 p -113.77 15.53 18.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.5 p -155.51 148.8 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.07 155.19 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.7 m -117.18 108.92 16.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -75.71 147.93 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -140.05 -178.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.37 51.02 58.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 113' ' ' LEU . 34.5 mt -108.58 173.84 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.8 t -116.4 136.88 23.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.468 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.1 Cg_endo -75.0 138.65 23.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.477 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 77.63 43.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -150.18 140.85 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.4 m -80.85 141.51 34.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 37.8 m-85 -138.67 138.88 38.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 46.1 mt-30 -115.97 164.22 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 17.4 m-85 -147.81 141.02 25.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.51 101.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -103.32 155.1 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.6 p -121.37 170.33 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -99.3 121.44 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.486 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 75.9 t -115.8 132.21 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 39.0 p-10 -142.52 167.19 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 18.8 t0 -39.4 -37.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.428 HG22 ' ND2' ' A' ' 97' ' ' ASN . 44.5 t -56.38 -63.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.01 176.23 37.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 4.9 ttpt -68.85 127.92 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.58 -114.44 0.48 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -136.74 159.57 41.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.313 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 56' ' ' GLU . 47.1 m-85 -94.42 148.73 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -72.74 161.1 31.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -55.63 159.49 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.05 108.07 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' GLU . 11.4 p -46.28 140.75 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 2.1 tt0 -37.35 128.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -37.35 97.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 58.3 t -92.11 123.89 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -114.12 142.4 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -88.06 157.62 50.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.487 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 133.61 16.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 23.9 tt0 -56.95 149.48 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -159.9 -51.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.43 12.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.91 22.33 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.4 m -115.81 103.55 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.77 113.73 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.02 161.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -179.94 167.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.53 -151.36 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -93.39 -52.89 4.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m 63.74 160.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 126.16 14.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 137.63 25.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.32 138.39 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.062 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -122.46 -61.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.54 78.61 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 156.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 2.6 p -103.97 143.69 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CB ' HG13 ' A' ' 99' ' ' VAL . 13.6 mtm180 -99.67 86.58 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.52 151.55 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -75.42 146.26 80.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.1 Cg_endo -75.02 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -100.26 156.29 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.63 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 103' ' ' GLN . . . -64.72 162.61 34.75 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.01 119.64 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.7 mp0 -81.37 173.88 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 42.12 52.32 6.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.648 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -74.96 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.3 149.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 108' ' ' THR . . . -146.74 104.89 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -120.31 165.83 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.3 mt -76.95 171.58 14.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 49.3 m -103.66 116.8 33.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.495 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 20.7 p -91.25 35.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 30' ' ' THR . 20.0 m -158.46 -44.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.77 113.79 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -56.22 134.6 53.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HD3' ' CD2' ' A' ' 113' ' ' LEU . 7.3 mmt-85 51.08 48.24 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -133.75 140.13 46.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 27' ' ' THR . 81.3 mt -119.8 141.6 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.3 m-20 -102.46 130.38 49.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 26' ' ' ALA . 1.8 tp -124.36 135.13 53.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.03 127.34 17.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 39.9 p90 -126.31 178.22 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -101.91 156.98 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' N ' HG21 ' A' ' 41' ' ' THR . 0.3 OUTLIER -78.4 112.46 26.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.439 1.757 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -87.89 126.33 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.8 p-10 -77.31 131.63 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.29 -43.27 57.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 1.3 t30 -178.04 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 160.97 31.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.0 36.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 138.27 58.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.3 mt -96.1 -47.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.21 -168.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.6 m-85 -146.73 132.91 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -92.82 100.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.7 118.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -110.57 137.97 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 58' ' ' SER . 40.9 ttp -115.86 145.32 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 57' ' ' MET . 0.3 OUTLIER -122.04 118.58 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 32.5 tt0 -101.53 93.36 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 61' ' ' ASN . 14.7 m-80 55.46 112.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 60' ' ' ASN . 30.3 m-80 28.02 45.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -104.91 148.76 36.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 58.0 m95 -43.87 107.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -104.13 118.32 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.98 99.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mt -83.79 -59.2 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -110.62 109.5 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.9 -45.06 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.04 98.88 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -118.15 151.31 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 131.88 89.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.29 15.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -96.09 5.97 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.39 135.99 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.56 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -116.14 -2.43 12.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 6.9 p -139.66 153.23 47.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.06 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.38 157.4 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.2 m -118.94 135.73 54.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.528 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.0 t -108.43 102.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.36 155.37 16.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.76 74.6 0.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 61.9 mt -127.78 166.03 18.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.9 t -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.01 148.03 34.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.21 52.21 6.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -152.76 144.95 23.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 146.12 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 18.7 m-85 -145.05 125.43 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -108.08 156.27 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.6 m-85 -142.82 135.1 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.79 116.77 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.633 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.5 pt? -117.27 160.15 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.59 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 24.6 p -126.28 165.33 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.82 127.73 36.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -127.17 127.47 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -134.22 -175.3 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -49.65 -57.64 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 2.9 m -42.82 -50.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 162.32 -143.45 8.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 25.3 ttmt -118.01 145.07 45.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -94.32 -113.55 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.426 ' HG2' ' CB ' ' A' ' 20' ' ' ALA . 1.4 pm0 -129.03 169.26 14.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.56 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 59.8 m-85 -98.35 167.84 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 p -93.0 154.32 18.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -52.7 160.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -71.19 111.68 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 26' ' ' ALA . 46.2 p -50.84 152.07 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 1.2 mt-10 -41.84 120.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -34.83 97.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 21.7 t -89.02 116.3 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 p -110.71 141.38 44.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.28 146.79 34.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.93 141.2 26.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -28.06 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.01 137.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -153.43 160.74 29.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 t -144.15 126.17 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 92.16 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -136.71 150.37 48.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.73 169.06 18.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.65 160.23 11.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -116.66 154.51 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.007 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -167.87 109.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.33 -158.76 9.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.37 166.37 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 110.24 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.81 172.51 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.048 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.08 173.47 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -106.18 152.56 23.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.32 174.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -85.72 146.01 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 2.6 p -94.84 130.25 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -87.14 89.49 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.53 148.32 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.93 143.27 88.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.97 173.92 13.67 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -106.16 155.33 19.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.578 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.91 163.93 19.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.94 142.33 27.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.8 mt-10 -101.93 178.62 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.627 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 39.06 52.62 3.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.627 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.03 75.55 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.39 127.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.587 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -119.22 123.87 45.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -134.52 148.04 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -52.57 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -14.28 19.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p 39.53 52.13 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER 177.37 -50.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -89.18 167.51 13.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.6 mtt180 -59.88 -139.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.529 ' CG ' HD21 ' A' ' 113' ' ' LEU . 1.9 mpt_? -66.36 58.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . -118.09 133.62 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.537 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 63.0 mt -117.08 135.71 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -92.01 111.02 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.57 135.85 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -140.33 123.69 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.9 p90 -135.03 176.11 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.409 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 m -103.59 154.89 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 113.48 39.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.04 175.98 10.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.5 t80 -88.13 128.69 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 2.6 p-10 -78.42 133.54 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.1 -44.62 42.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 2.1 t30 -173.57 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 158.29 37.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.0 34.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.529 1.805 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.62 145.26 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 HD11 ' CA ' ' A' ' 98' ' ' ASP . 25.5 mt -105.02 -41.86 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -168.75 173.44 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 2.6 m-85 -128.06 136.4 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mt -105.4 101.68 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -89.06 128.64 35.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -120.62 123.74 43.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' A' ' 58' ' ' SER . 44.1 ttp -106.34 147.57 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.4 t -122.36 109.99 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 26.4 tt0 -77.38 92.18 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 58.67 -94.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -108.66 33.29 4.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -95.88 148.34 34.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 145.32 31.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 73.3 m95 -43.96 108.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.9 115.68 30.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.78 100.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD2' HG11 ' A' ' 80' ' ' VAL . 14.6 tp -81.09 -57.04 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.38 111.13 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.32 -67.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 106.92 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 12.3 t -120.18 153.32 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.27 127.66 92.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.08 11.5 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.86 138.09 50.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 2.0 p -115.5 4.31 14.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.3 p -145.38 148.3 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.04 152.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.1 m -104.03 133.6 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 67' ' ' LEU . 86.2 t -108.15 101.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -99.3 168.94 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.75 46.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.583 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 2.9 mp -93.84 160.68 14.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.1 t -102.23 139.27 20.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.02 142.4 27.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 69.65 48.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -153.81 144.84 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -80.73 146.94 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 21.8 m-85 -145.39 128.41 16.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -108.84 158.4 17.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -141.82 136.57 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -158.72 107.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -105.59 160.05 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 21.0 p -125.22 174.15 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.43 127.46 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 12.5 t -127.28 130.43 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -135.27 -174.2 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.464 ' CA ' HD11 ' A' ' 51' ' ' ILE . 36.9 t70 -54.79 -44.65 73.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.426 HG23 ' OD1' ' A' ' 97' ' ' ASN . 3.1 m -53.79 -42.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.11 -151.49 23.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 2.7 ttmt -112.65 142.52 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.92 -108.91 1.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -139.75 168.41 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.579 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 8.2 m-85 -99.6 159.46 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 2.9 p -79.2 157.13 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 161.65 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.24 101.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 22.0 p -42.39 150.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.6 OUTLIER -36.47 118.13 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -37.02 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 85.3 t -93.27 135.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 t -126.23 141.83 51.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -86.15 156.19 57.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.98 152.51 40.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 9.2 tt0 -67.88 163.94 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -106.4 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.13 174.81 38.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.3 3.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.88 143.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.0 m -66.36 138.58 57.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.55 -71.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -87.0 143.35 27.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.61 -118.01 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t 66.99 164.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 p -106.89 164.37 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.01 50.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.2 162.82 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.1 137.11 36.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.54 111.78 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 4.7 t-160 -126.55 63.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.96 79.18 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.84 138.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.7 p -86.87 127.78 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 mtm105 -84.26 93.64 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -92.34 153.77 18.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD2' HG21 ' A' ' 99' ' ' VAL . 33.6 mt -81.72 138.68 47.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.08 132.93 15.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -65.2 163.71 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -65.73 163.96 30.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.92 41.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.8 mt-10 -110.74 178.58 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.635 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 41.86 52.09 6.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.95 82.99 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.72 134.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . . . -139.75 107.35 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -125.54 164.1 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 5.1 mt -59.05 165.04 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.39 111.12 22.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.4 p -84.37 11.63 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.29 -49.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 2.2 mm-40 -104.13 130.98 51.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 mmt-85 -73.86 140.61 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 61.96 29.6 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -124.35 169.54 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.49 HD12 ' CG1' ' A' ' 111' ' ' VAL . 68.1 mt -140.25 139.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.15 106.24 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD11 ' CZ3' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -95.04 125.54 39.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -140.02 123.86 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 77' ' ' SER . 34.8 p90 -130.76 179.48 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' GLU . 7.8 m -103.13 158.75 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -76.6 113.28 27.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 148.84 35.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.8 t80 -66.63 129.18 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 6.2 p-10 -79.91 130.03 34.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.99 -35.27 48.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 2.8 t-20 174.36 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.9 157.89 35.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.48 31.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.19 145.49 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.8 -51.2 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -159.15 179.52 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 94' ' ' CYS . 2.1 m-85 -133.48 137.19 45.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.5 mt -112.64 100.65 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 2.1 tp -88.64 117.06 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -105.03 118.0 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.504 ' CB ' HD12 ' A' ' 67' ' ' LEU . 58.4 ttp -101.3 141.95 33.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.582 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 t -124.77 107.51 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.566 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.6 tt0 -68.91 -162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.78 99.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.69 18.18 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HB3' ' CA ' ' A' ' 59' ' ' GLU . . . -80.35 149.03 68.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.92 29.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.637 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.9 m95 -44.37 110.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -110.79 113.28 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.13 100.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' CB ' ' A' ' 57' ' ' MET . 3.6 mt -78.93 -65.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -107.88 110.16 21.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.51 -49.89 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.52 100.07 11.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 9.1 t -123.33 152.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.4 135.35 88.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.33 9.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 7.04 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.55 126.73 52.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.9 p -108.16 -1.14 20.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 6.1 t -141.71 164.42 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 p -158.84 154.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.9 m -116.41 108.39 15.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 81' ' ' LYS . 79.2 t -79.12 145.24 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' N ' HG11 ' A' ' 80' ' ' VAL . 1.6 mtmp? -135.18 167.16 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.58 68.95 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 113' ' ' LEU . 74.0 mt -119.31 168.14 11.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.8 t -95.15 130.74 31.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -74.98 147.48 34.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . . . 64.41 52.96 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -157.45 143.99 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -80.14 154.1 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 27.1 m-85 -145.08 139.74 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 57' ' ' MET . 45.2 mt-30 -127.47 127.43 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 36' ' ' ILE . 51.1 m-85 -111.65 151.9 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.637 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -172.89 104.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.586 ' CD1' ' CD1' ' A' ' 53' ' ' TYR . 1.4 pt? -104.18 163.68 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 30.0 p -126.15 174.85 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.59 121.72 44.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.0 t -121.38 131.28 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 4.0 p-10 -138.76 -175.84 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -46.26 -59.73 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 2.3 m -40.91 -49.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 157.46 -145.8 12.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 20.5 ttmt -113.98 146.86 39.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.86 -110.78 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.96 164.87 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 9.3 m-85 -95.08 167.5 11.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 p -88.1 161.95 17.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.09 157.65 21.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 25.7 p30 -59.61 109.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 40.9 p -52.0 155.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -39.8 111.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.47 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.49 ' CG1' HD12 ' A' ' 36' ' ' ILE . 1.7 p -90.64 133.42 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -118.13 141.45 48.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -88.17 157.49 50.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.04 145.1 30.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HG2' ' CB ' ' A' ' 86' ' ' ALA . 7.3 tm-20 -57.52 -39.24 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.95 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 135.71 145.37 5.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.53 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.4 99.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.1 p -65.03 89.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 65.05 97.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 58.82 169.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.3 -143.57 15.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.8 95.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t 62.53 167.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.99 -132.76 1.9 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.93 85.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m 45.1 82.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.71 91.11 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -145.69 155.16 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt 63.93 156.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 108.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 6.0 p -106.94 129.53 60.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -75.8 94.62 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER -107.43 167.13 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.28 144.76 94.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.57 159.39 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 164.79 17.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.17 42.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.9 mt-10 -105.69 178.25 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.67 56.12 2.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.04 81.98 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 t -97.03 139.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 38' ' ' LEU . . . -136.69 121.47 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.53 143.38 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.25 165.46 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.5 t -88.19 108.23 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.0 p -76.71 -0.07 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.31 -33.32 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . 3.1 mm-40 -114.33 151.92 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -92.36 150.88 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 45.98 35.56 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.44 133.58 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 54.1 mt -106.76 146.29 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' HG21 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -114.21 116.59 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.1 tp -102.9 139.38 38.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -141.77 122.86 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 44.0 p90 -134.45 168.36 19.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m -96.06 156.61 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.73 113.33 34.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.17 11.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.8 t80 -91.7 125.7 36.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.9 p30 -87.59 139.28 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -36.16 -71.77 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.68 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.99 159.41 37.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 123.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD1' ' OH ' ' A' ' 53' ' ' TYR . 7.1 mt -40.08 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -111.03 -52.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -166.22 175.71 8.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 17.6 m-85 -133.95 135.25 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.5 mt -97.69 99.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 120.36 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.81 129.79 55.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 63.2 ttp -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 t -124.99 104.75 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.3 tt0 -71.28 -151.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.47 95.68 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.15 13.0 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 59' ' ' GLU . . . -75.6 147.24 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.09 29.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.26 108.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -106.55 115.49 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.24 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.9 tp -82.31 -55.64 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -117.62 110.49 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.33 -32.81 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 42.7 t -111.1 101.32 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 69.7 t -120.66 148.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.94 88.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.22 16.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -91.15 -2.87 57.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.92 127.99 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.5 p -111.94 0.17 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -143.05 150.62 39.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -143.58 157.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.9 m -120.83 136.89 54.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.87 101.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.65 164.17 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.5 69.65 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 18.2 mt -118.99 154.37 33.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG13 ' CD ' ' A' ' 87' ' ' ARG . 24.8 t -91.12 135.63 28.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.97 144.97 31.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 65.54 49.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.471 ' CD ' HG13 ' A' ' 84' ' ' VAL . 26.7 mtt180 -148.63 144.96 27.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.44 143.33 33.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 30.4 m-85 -143.9 134.03 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 7.3 mm-40 -126.14 164.68 20.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CE1' ' HG3' ' A' ' 57' ' ' MET . 86.1 m-85 -149.6 154.91 39.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 ptt180 -172.35 110.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.1 pt? -110.11 155.85 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 13.5 p -119.69 175.56 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.51 122.43 44.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 26.4 t -119.61 124.86 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 44.6 p-10 -135.9 170.89 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -40.67 -54.47 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.0 t -46.35 -47.99 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 156.8 -159.78 29.83 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 23.2 ttmt -107.01 141.7 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.799 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.34 -106.25 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -137.32 169.8 17.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 6.4 m-85 -100.9 145.12 29.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -64.16 155.22 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.48 162.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.1 p-10 -65.61 113.17 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 90' ' ' GLN . 12.6 p -54.05 146.92 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.0 OUTLIER -37.36 110.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.3 ttt180 -30.6 97.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' GLU . 21.5 t -88.04 113.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 t -101.0 142.27 32.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.572 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.2 OUTLIER -77.18 136.56 65.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.02 129.91 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.06 142.68 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.0 t -76.11 102.34 5.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 51.9 -135.29 34.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.417 1.073 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -66.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.5 t 41.44 81.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.8 p -60.35 106.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -174.88 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -160.51 163.01 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.44 160.86 14.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.56 165.03 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.36 151.16 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.41 -164.73 10.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.65 165.59 14.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.01 -57.19 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.44 173.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -161.95 -58.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -97.59 -59.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -113.91 144.32 43.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG1' ' NE2' ' A' ' 16' ' ' GLN . 1.7 p -86.91 126.87 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' CD ' HG21 ' A' ' 99' ' ' VAL . 3.3 mtm180 -84.71 94.42 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' NE2' ' CG1' ' A' ' 14' ' ' VAL . 1.9 mp0 -91.82 167.21 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.26 140.89 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.95 165.66 30.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -105.57 159.48 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.28 164.39 24.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.48 41.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 23' ' ' HIS . 10.6 mt-10 -106.48 176.09 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.733 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 33.03 56.47 1.37 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.586 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.95 81.67 2.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.62 143.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -136.17 106.66 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -107.29 145.98 32.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 6.5 mt -56.38 177.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -121.19 66.01 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 p -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' SER . 16.1 m -75.28 -52.62 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' SER . 1.9 mm-40 -98.46 121.7 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt-85 -71.38 129.06 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.3 mtm-85 70.81 39.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 29' ' ' SER . . . -138.39 160.39 39.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.4 mt -140.11 132.24 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' THR . 13.3 m-20 -88.77 105.51 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.89 131.84 34.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.6 p -137.65 128.88 27.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.514 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 40.6 p90 -143.97 175.95 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.5 m -103.67 155.76 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 112.99 32.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.7 t80 -85.74 128.37 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -86.39 153.25 22.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 47' ' ' ASN . . . -82.19 69.75 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.1 t-20 75.4 -51.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -88.15 146.51 38.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.29 12.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 HD11 ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.73 149.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.42 -52.47 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -155.4 -173.51 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 11.1 m-85 -138.49 137.88 37.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -105.43 99.11 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.62 116.42 26.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.9 mt-10 -113.38 136.54 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' ' 57' ' ' MET . 7.0 tmm? -110.63 147.44 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.618 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 13.3 t -126.6 89.05 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -62.92 -168.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 62' ' ' ALA . 1.9 m-80 -41.84 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.72 29.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 60' ' ' ASN . . . -90.06 147.17 36.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.3 26.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.0 m95 -44.22 119.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 t -116.31 128.82 55.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.56 100.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 80' ' ' VAL . 12.7 tp -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.68 109.95 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.41 -61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 100.04 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.04 147.72 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.56 137.6 88.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.27 3.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -78.89 -2.59 40.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.99 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.445 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 17.2 p -121.29 8.17 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -150.16 146.18 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.0 p -148.3 153.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -119.01 114.09 21.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 67' ' ' LEU . 48.1 t -85.83 149.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.08 158.73 43.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.65 22.66 38.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.554 ' HG ' ' CZ ' ' A' ' 89' ' ' TYR . 1.1 mp -81.63 160.15 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.37 135.7 23.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.6 29.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 70.63 47.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -155.57 149.81 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.12 150.18 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.2 m-85 -145.56 119.66 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 57' ' ' MET . 82.4 mt-30 -109.12 128.32 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -111.84 152.4 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.65 ' NH1' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -168.95 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.514 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.05 161.72 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.524 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 20.5 p -125.68 175.11 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.43 121.58 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.44 132.63 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 99' ' ' VAL . 46.7 p-10 -138.92 165.71 26.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' ASN . 56.5 t0 -39.38 -47.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG21 ' CD ' ' A' ' 15' ' ' ARG . 21.2 t -50.58 -61.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.25 -172.44 41.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' HD3' ' CZ ' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -70.14 146.46 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.2 -109.32 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -131.84 156.63 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CD2' ' NH1' ' A' ' 92' ' ' ARG . 39.2 m-85 -100.56 143.36 30.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 p -75.6 149.09 38.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 162.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -67.99 115.45 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLU . 17.9 p -49.26 145.08 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -38.04 127.43 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.5 OUTLIER -38.06 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 109' ' ' GLU . 53.8 t -88.26 119.51 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 136.21 46.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.87 140.73 23.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.453 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 149.09 36.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -71.97 132.84 44.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -60.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.92 25.97 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.61 31.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -91.28 -58.86 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.3 m -92.53 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t 62.38 127.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -179.94 152.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.55 -170.02 21.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -47.35 169.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.19 159.48 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.56 131.89 1.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.67 72.32 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -165.25 158.13 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.36 -61.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -178.79 -62.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.01 169.82 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -46.04 127.07 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -110.6 132.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.69 71.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -93.03 139.23 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.572 ' CD1' HG22 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.07 148.37 51.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 64.2 m170 -98.23 147.49 24.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.2 164.21 19.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -75.05 120.65 6.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 4.7 mt-10 -86.98 175.73 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.641 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 38.58 52.55 3.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.605 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.1 Cg_endo -74.97 77.82 3.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -97.2 128.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 38' ' ' LEU . . . -115.36 121.47 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -117.62 149.16 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.46 177.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.485 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . 20.1 m -109.99 99.57 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -74.62 -6.03 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 32' ' ' GLU . 20.3 m -108.92 -51.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 2.0 tm-20 -96.5 123.89 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -71.79 140.07 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 59.71 39.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 29' ' ' SER . . . -134.97 151.34 50.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 83' ' ' LEU . 68.6 mt -132.31 125.86 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' THR . 9.7 m-20 -92.48 114.9 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 26' ' ' ALA . 1.5 tp -94.1 145.62 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -147.06 121.19 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CH2' HD11 ' A' ' 93' ' ' LEU . 45.2 p90 -129.42 -175.76 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.056 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 m -106.09 155.26 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 112.83 34.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 175.85 10.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 38.1 t80 -86.84 152.17 22.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 2.6 p-10 -97.39 126.24 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -53.56 -40.01 61.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 6.4 m-80 -178.31 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.71 158.8 35.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.41 42.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.51 136.07 54.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.57 -52.37 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 0.2 OUTLIER -165.68 -169.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.616 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.8 m-85 -142.81 144.61 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.96 99.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.8 120.08 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 4.0 mt-10 -112.52 123.24 49.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 ttp -103.6 138.12 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.94 118.62 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 16.8 tt0 -133.06 137.46 46.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 63.84 69.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ASN . 21.8 m-80 36.19 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . -90.9 150.34 41.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.45 34.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 67.7 m95 -43.06 109.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -104.22 114.73 29.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.36 100.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 80' ' ' VAL . 10.0 tp -86.66 -59.59 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.01 109.82 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.51 -40.89 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 22.6 t -101.56 100.34 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -121.59 152.36 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.3 138.12 86.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.86 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -86.53 9.83 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.56 138.22 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.467 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 11.6 p -122.64 4.46 9.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.0 p -148.72 144.29 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -141.59 156.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.9 m -113.6 137.07 52.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 91' ' ' PHE . 64.2 t -110.64 101.37 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -94.37 164.21 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.28 70.33 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 43.1 mt -123.56 167.54 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.2 t -101.92 130.53 24.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.3 Cg_endo -75.01 141.32 26.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 74.95 45.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -153.41 150.11 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 m -79.68 149.17 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 11.4 m-85 -145.78 128.28 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 37.2 mt-30 -113.97 161.87 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -149.35 142.7 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -164.08 112.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.583 HD11 ' CH2' ' A' ' 40' ' ' TRP . 1.2 pt? -113.43 152.98 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 7.5 p -115.62 173.72 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 114.53 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 54.9 t -111.88 130.24 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 2.4 p-10 -140.43 176.57 8.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' ASN . 22.8 t70 -39.91 -58.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 17' ' ' LEU . 1.8 m -40.97 -50.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.57 -134.14 3.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.53 ' HD3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 ttmt -128.81 136.37 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -91.8 -118.48 2.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 2.3 pt20 -116.0 173.56 6.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.3 m-85 -107.81 168.67 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.9 p -89.03 141.07 28.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.86 158.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 16.2 p30 -56.96 119.91 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 26.9 p -62.3 155.5 24.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' ARG . 2.1 mt-10 -39.16 112.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -35.0 99.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 79.8 t -95.6 122.75 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 t -112.72 142.25 45.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 142.58 29.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.1 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.78 159.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.8 p -80.77 74.1 7.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.08 -144.46 15.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.04 7.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.5 169.78 17.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -96.85 144.04 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -156.78 168.75 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 60.57 148.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.75 170.41 12.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.02 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -93.0 167.62 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.56 152.77 24.48 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.123 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -69.56 157.28 37.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -147.69 82.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' HIS . . . 70.74 -73.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER 84.96 -66.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.5 mt -90.94 158.48 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.71 121.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.88 132.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.29 72.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 10.6 tp-100 -92.95 141.99 27.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.583 ' CD1' HG21 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.35 147.66 57.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 55.4 m170 -94.25 147.76 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' PRO . . . -63.74 162.93 24.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.49 ' CG ' ' O ' ' A' ' 93' ' ' LEU . 18.2 Cg_endo -75.03 130.62 13.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.4 mt-10 -96.19 178.08 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 39.91 52.08 4.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.564 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.64 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.01 82.7 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -95.95 125.75 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -126.08 106.93 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -126.67 152.7 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.8 mt -45.19 169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -26.64 15.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p 48.49 22.28 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.4 -55.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 1.5 tm-20 -95.02 125.89 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -55.45 126.93 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 55.92 55.17 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -141.24 148.61 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 83' ' ' LEU . 79.1 mt -126.27 142.54 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.73 105.26 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.521 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -90.62 128.23 36.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -138.99 131.63 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 36.1 p90 -140.28 -175.31 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 m -109.69 155.91 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -80.49 112.8 34.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 176.06 10.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 48.8 t80 -83.31 158.96 22.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.557 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 4.5 p-10 -102.7 124.98 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -54.88 -31.09 54.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 4.5 m-20 171.36 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.63 155.03 38.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 135.67 19.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -49.6 139.41 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 mt -104.71 -54.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -162.37 -178.23 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 17.0 m-85 -136.59 142.17 43.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 66.4 mt -105.01 98.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -87.59 107.7 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 55' ' ' LEU . 19.4 mt-10 -102.41 123.03 45.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.43 ' CB ' HD12 ' A' ' 67' ' ' LEU . 57.2 ttp -100.89 146.26 27.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.99 106.93 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.3 tt0 -69.68 -167.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -54.11 100.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 56.11 22.73 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' HB2' ' CA ' ' A' ' 59' ' ' GLU . . . -87.01 148.79 46.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.26 32.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.61 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.33 114.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.1 t -114.72 113.84 24.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.6 100.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.43 HD12 ' CB ' ' A' ' 57' ' ' MET . 5.7 mt -82.72 -62.37 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -109.7 109.68 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.11 -46.9 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.72 100.74 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 70.9 t -122.82 145.57 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -69.92 137.72 87.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.36 9.28 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.73 -22.32 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 72' ' ' ASP . . . -78.78 126.16 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -109.08 2.56 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.6 p -144.24 152.5 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.3 p -145.92 156.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -118.47 106.46 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 91' ' ' PHE . 95.8 t -75.24 153.37 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -143.9 166.72 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.97 30.9 58.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.494 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 1.1 mp -84.34 175.53 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.492 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 72.6 t -115.42 143.19 29.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.492 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 145.56 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.459 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 57.69 50.1 11.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -147.23 140.79 25.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 m -80.0 145.27 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 36.4 m-85 -144.0 128.25 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 34.7 mt-30 -110.35 146.48 35.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 80' ' ' VAL . 50.5 m-85 -128.89 146.57 50.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.61 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -168.58 105.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 2.0 pt? -109.05 156.18 20.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.608 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 28.7 p -121.17 174.83 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 118.75 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 41.0 t -114.85 124.21 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.2 p-10 -129.43 -175.07 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -49.02 -53.2 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 17' ' ' LEU . 2.0 m -45.08 -50.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.85 -134.71 3.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG3' ' CG2' ' A' ' 96' ' ' VAL . 0.9 OUTLIER -128.22 137.55 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -95.18 -117.1 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 20' ' ' ALA . 1.6 pt20 -118.92 166.81 12.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 4.7 m-85 -98.12 -176.26 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 5.1 p -98.5 149.56 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.97 157.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.421 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -62.92 105.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 18.0 p -47.91 145.23 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' THR . 1.5 tt0 -36.5 121.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.8 ttt180 -37.9 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.8 t -90.76 133.49 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.3 t -122.48 139.45 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -88.21 157.15 51.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.455 ' HD2' ' CD2' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.05 149.93 37.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 11.5 tt0 -69.51 153.59 43.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.2 90.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 68.5 145.02 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 61.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.59 166.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 m -94.44 116.24 28.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 63.86 167.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.8 155.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.07 -129.66 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -178.07 101.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -144.12 114.61 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.59 123.99 4.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -54.8 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.45 -56.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.71 -58.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.59 -171.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 -175.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -40.79 124.45 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.635 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 12.7 p -117.55 134.64 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -72.91 90.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 2.1 pt20 -114.61 170.53 8.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.26 145.78 98.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.31 153.1 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.21 162.15 34.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.616 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -92.46 169.43 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.3 m-70 45.61 51.05 8.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.02 142.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . . . -136.85 104.84 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.31 155.33 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 3.5 mt -77.81 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.26 115.17 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -82.87 9.57 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.51 -44.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -101.86 135.92 42.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -78.04 148.67 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 44.28 48.53 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.01 132.92 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 96.2 mt -112.88 151.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' HG22 ' A' ' 36' ' ' ILE . 1.9 m-20 -116.36 118.42 32.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tp -113.27 137.78 50.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.19 125.54 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -125.98 177.8 6.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.477 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 61.2 m -102.01 156.55 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.63 111.65 19.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.1 10.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -82.07 126.97 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.7 p-10 -84.23 140.54 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.75 53.5 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.635 ' ND2' ' H ' ' A' ' 14' ' ' VAL . 70.1 m-80 61.81 22.69 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' HG11 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -133.67 141.55 40.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.52 5.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -43.27 148.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mt -111.95 -58.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -160.11 172.26 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 14.1 m-85 -132.64 129.65 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 74.9 mt -90.9 99.6 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -87.6 114.73 24.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' HD22 ' A' ' 55' ' ' LEU . 27.5 mt-10 -109.89 135.48 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.475 ' C ' ' SD ' ' A' ' 57' ' ' MET . 6.7 tmm? -112.25 148.32 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.594 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 45.8 t -125.61 88.97 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.591 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.0 tt0 -60.86 -152.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ALA . 13.0 m-20 -62.09 105.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.9 24.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 60' ' ' ASN . . . -86.37 146.49 42.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.27 31.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.613 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 75.2 m95 -43.68 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -108.73 133.26 53.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.68 100.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 57' ' ' MET . 7.2 mt -80.92 -55.32 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.5 OUTLIER -120.6 109.21 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.64 -69.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 100.16 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 6.0 t -114.45 152.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.72 131.75 91.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.07 12.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -93.59 14.74 17.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.67 141.45 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 1.1 p -119.94 -2.38 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.8 p -142.03 149.33 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.84 157.21 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 53.6 m -114.04 130.67 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 91' ' ' PHE . 41.9 t -106.4 100.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -100.46 162.17 13.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.93 56.62 5.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 12.0 mt -108.14 157.4 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.539 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 95.8 t -86.75 141.47 33.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.94 28.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.67 50.04 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -147.51 141.25 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -80.49 147.4 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.591 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 29.6 m-85 -144.55 130.73 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.74 170.29 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 80' ' ' VAL . 72.1 m-85 -152.87 143.16 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -166.21 103.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.7 pt? -107.18 158.02 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 30.7 p -124.32 174.3 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.74 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.0 t -122.97 122.59 66.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.9 p-10 -132.37 -177.42 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -51.07 -54.41 25.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 HG11 ' CB ' ' A' ' 48' ' ' SER . 4.4 m -44.47 -42.36 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.02 -148.0 18.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.148 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 12.3 ttmt -113.12 150.97 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -100.0 -119.02 4.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 161.89 32.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -91.59 146.47 23.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 p -71.33 155.76 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.64 165.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 3.5 p-10 -72.56 109.15 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 24.8 p -54.6 150.83 8.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -38.79 119.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -38.71 114.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' TYR . 3.3 t -95.54 125.61 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.2 p -106.16 137.62 43.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.56 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -79.22 148.57 71.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.0 122.67 7.35 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.83 103.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.3 p -42.85 151.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -122.86 138.48 11.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.44 5.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t 53.64 89.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p -80.73 122.2 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.12 -58.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -44.06 150.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.42 173.2 13.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -141.7 168.54 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -101.57 150.36 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.19 -151.77 5.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.11 133.7 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 t -118.14 141.39 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.59 164.78 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 133.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mp 67.52 152.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -81.75 155.15 25.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.9 p -100.03 131.35 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -87.46 89.18 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' NE2' HG11 ' A' ' 14' ' ' VAL . 1.6 tp-100 -91.86 159.32 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.6 144.82 49.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.99 -178.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -119.22 157.7 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 103' ' ' GLN . . . -63.75 163.21 22.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.5 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' HIS . 3.5 mt-10 -97.38 178.25 5.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.597 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.23 54.54 3.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.597 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 79.8 2.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -95.96 122.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.592 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -121.26 106.0 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 146.55 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 3.3 mt -65.53 170.2 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' ALA . 32.8 p -85.76 119.38 26.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.0 p -86.82 14.24 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 32' ' ' GLU . 14.6 m -137.82 -52.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 1.6 mm-40 -84.95 160.98 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -101.54 139.79 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 51.92 47.57 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.48 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . . . -142.53 130.03 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 96.2 mt -111.25 136.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 104.24 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.592 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.82 127.2 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 p -138.91 127.34 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 77' ' ' SER . 44.1 p90 -136.47 -177.05 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -108.91 156.07 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.52 113.5 37.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.02 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.9 t80 -84.12 128.55 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 11.1 p-10 -81.54 129.27 34.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -44.68 -45.15 8.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 1.0 OUTLIER -178.81 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -93.44 160.23 33.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.17 40.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.61 139.94 49.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.88 -53.75 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -151.41 167.52 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 1.6 m-85 -127.32 128.95 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 60.0 mt -95.08 126.7 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -116.95 117.88 30.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -108.22 123.03 48.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.421 ' SD ' ' CD1' ' A' ' 67' ' ' LEU . 56.2 ttp -103.12 145.74 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -124.62 115.1 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -87.77 94.0 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 30.8 m-20 62.86 -97.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 16.47 22.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . -74.82 150.25 86.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.66 29.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 70.6 m95 -43.12 108.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 65' ' ' THR . 2.2 t -110.11 105.63 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 p -54.84 101.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' CD1' ' SD ' ' A' ' 57' ' ' MET . 9.9 mt -81.0 -50.71 9.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -112.01 110.42 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.75 -60.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.91 102.04 14.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 53.2 t -118.42 153.68 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 132.28 92.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.09 20.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.774 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -101.17 7.72 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.97 142.93 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.532 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -123.58 3.0 8.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 3.1 p -146.88 156.47 43.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 68' ' ' LEU . 5.4 p -153.17 156.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.8 m -113.18 134.97 54.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.2 107.15 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.48 ' HG2' ' CB ' ' A' ' 35' ' ' ALA . 14.5 mtmt -109.8 150.21 28.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.44 10.41 36.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -67.36 157.41 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 84.8 t -91.36 142.59 27.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 144.05 29.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . . . 61.94 47.44 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -148.79 149.94 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 55.2 m-85 -144.35 131.1 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -110.2 149.41 30.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.581 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -165.93 105.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.521 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 2.0 pt? -112.76 153.54 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.525 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 13.8 p -120.62 175.81 5.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.19 140.56 37.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 t -137.33 132.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.572 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -134.62 -175.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.72 -33.75 73.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 4.3 m -63.39 -37.43 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' N ' HG21 ' A' ' 99' ' ' VAL . . . 152.36 -149.43 21.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 22.6 ttmt -119.85 153.93 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -105.2 -130.19 6.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -119.21 158.2 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.525 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 18.9 m-85 -88.6 162.05 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -82.14 155.13 25.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.86 157.48 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 2.7 p30 -59.04 109.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 24' ' ' PRO . 18.4 p -52.69 150.49 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -37.81 124.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 36' ' ' ILE . 6.7 t -93.66 124.29 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -107.04 140.65 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.535 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -79.55 151.02 74.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.535 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.01 115.33 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -58.92 99.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -93.63 124.98 37.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 125.53 146.06 6.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.39 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.9 m -39.29 146.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 108.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -136.77 -57.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -133.47 107.25 7.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.9 73.2 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 164.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.66 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.76 -80.71 0.28 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 66.84 105.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -160.7 135.56 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.16 -60.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -178.87 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mp -45.79 135.52 6.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' CB ' ' ND2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -76.26 115.66 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' N ' HD21 ' A' ' 47' ' ' ASN . 2.3 p -104.95 124.39 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -81.82 89.44 6.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -95.5 165.22 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.24 140.11 87.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -99.13 171.83 7.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -74.51 163.76 65.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.81 41.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.8 mt-10 -105.15 179.26 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.34 56.22 2.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.99 80.3 2.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.64 144.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' CB ' HD13 ' A' ' 38' ' ' LEU . . . -140.32 110.95 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -119.83 153.79 35.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 2.6 mt -75.01 170.31 16.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 75.2 m -92.55 122.53 35.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.1 p -91.33 25.48 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -150.22 -48.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' N ' HG12 ' A' ' 31' ' ' VAL . 1.5 mm-40 -90.4 122.52 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -68.97 134.15 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 57.24 51.08 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -145.63 132.22 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 94.9 mt -114.45 141.76 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.0 m-20 -104.55 105.7 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD13 ' CB ' ' A' ' 26' ' ' ALA . 2.1 tp -87.98 140.72 29.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.8 p -143.62 122.35 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.4 p90 -134.14 171.43 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 m -94.47 159.09 15.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -75.89 113.39 26.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.1 152.54 40.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -64.48 153.23 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.0 p-10 -115.28 120.67 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -35.38 -49.52 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.517 HD21 ' N ' ' A' ' 14' ' ' VAL . 1.3 t-20 170.47 38.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.17 155.79 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.08 118.79 5.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' PRO . 33.6 mt -39.42 145.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -99.27 -55.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -164.5 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 19.8 m-85 -141.0 149.97 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.424 HD11 ' CD ' ' A' ' 101' ' ' LYS . 79.2 mt -109.64 107.91 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD12 ' CG1' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -85.97 117.71 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.76 126.95 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.569 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 65.8 ttp -110.71 140.85 44.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.597 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 4.7 t -125.31 100.59 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -68.24 -160.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.34 97.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 57.89 19.97 6.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.44 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -83.39 148.91 56.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.35 27.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CH2' ' HG2' ' A' ' 92' ' ' ARG . 58.1 m95 -45.63 119.76 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -119.75 111.89 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -54.72 113.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 0.2 OUTLIER -86.8 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.24 110.3 21.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.83 25.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.64 99.56 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 10.0 t -120.03 151.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 140.44 87.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -92.76 16.66 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.16 132.53 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.451 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 1.3 p -120.3 2.3 10.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -145.37 145.25 31.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 55' ' ' LEU . 7.9 p -145.24 156.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -110.04 136.37 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 85.2 t -110.47 100.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -97.59 151.21 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.08 69.23 1.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 31.2 mt -119.94 157.68 28.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 37.3 t -86.41 136.53 35.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 139.73 24.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 115' ' ' GLU . . . 63.95 48.33 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' CD ' HG13 ' A' ' 84' ' ' VAL . 26.6 mtt180 -147.74 147.35 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -83.42 148.85 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.0 m-85 -145.32 125.97 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 57' ' ' MET . 39.7 mt-30 -115.02 136.12 53.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -119.45 159.61 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.632 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -178.05 116.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.4 pt? -116.31 166.1 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.4 p -128.76 175.49 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.46 129.81 45.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 69.4 t -127.13 119.76 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.416 ' ND2' HG23 ' A' ' 99' ' ' VAL . 38.5 p-10 -132.96 172.06 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASN . 46.6 t0 -39.01 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.416 HG23 ' ND2' ' A' ' 97' ' ' ASN . 23.9 t -53.1 -64.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.91 37.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.436 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 5.3 ttpp -69.48 138.28 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.82 -112.67 3.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 4.2 pt20 -130.15 159.04 38.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 29.5 m-85 -98.23 156.26 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.6 p -78.86 157.93 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 1.1 mppt? -60.25 161.08 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -65.58 112.26 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.4 p -50.79 -178.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.19 120.53 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.2 ttt180 -36.31 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 17.5 t -87.93 108.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -95.28 140.74 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.562 ' CD1' ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -74.26 150.58 87.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.562 ' HD2' ' CD1' ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.92 119.06 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.48 ' CG ' ' HB1' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -56.02 92.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 p -39.33 103.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 56.99 168.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.22 29.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 p -150.04 154.24 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.84 103.51 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -137.28 135.79 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -139.19 146.88 41.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.26 178.68 22.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.66 128.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.06 -54.73 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.49 148.41 4.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -154.81 145.16 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.96 165.13 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.48 179.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 60.61 116.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.61 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 72.82 141.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -75.47 127.14 32.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.4 p -116.32 139.0 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' CB ' HG12 ' A' ' 99' ' ' VAL . 22.0 mtm-85 -57.95 83.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -93.27 153.39 18.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -69.76 148.85 96.69 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.99 -179.65 5.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -111.84 151.93 28.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.74 161.81 33.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.64 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.95 120.21 5.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.05 172.75 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 m-70 42.83 52.49 7.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.03 93.01 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.535 1.808 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' HD23 ' A' ' 38' ' ' LEU . 1.6 m -97.87 141.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.49 104.22 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.0 157.77 42.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 5.5 mt -55.69 172.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -86.34 -19.48 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p 45.24 25.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -155.92 -51.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -97.72 124.04 41.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.22 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 113' ' ' LEU . 0.5 OUTLIER 53.85 46.31 26.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -140.18 139.91 35.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 51.3 mt -121.01 152.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.26 101.78 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.494 HD12 ' CE3' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -97.64 121.49 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.7 135.61 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.64 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -134.39 -174.0 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.466 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m -107.95 156.73 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 112.08 23.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.5 Cg_endo -74.91 175.8 10.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 5.2 t80 -88.98 124.62 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.8 p-10 -82.69 121.73 27.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -37.1 -63.48 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -173.95 34.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.25 154.09 29.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -43.62 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -114.0 -58.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -161.07 171.66 18.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.7 m-85 -133.59 128.48 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.7 mt -91.52 103.15 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -92.41 111.79 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' HD21 ' A' ' 55' ' ' LEU . 12.2 mt-10 -104.8 128.84 53.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -101.12 147.86 25.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.0 t -124.25 101.01 6.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.578 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 50.5 tt0 -73.78 102.47 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 56.39 -93.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -115.35 19.48 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -75.13 148.9 84.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.57 29.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.479 1.779 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 65.9 m95 -43.47 111.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.3 t -109.82 118.93 37.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.55 100.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.38 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.0 110.4 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.55 17.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.15 99.83 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 t -117.86 151.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.97 130.29 91.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.12 18.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -98.98 18.51 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.86 138.53 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.2 p -115.11 -7.21 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 8.8 p -136.62 152.15 50.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -144.4 156.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.8 m -115.8 119.23 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.521 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 41.6 t -96.51 103.59 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' ' 35' ' ' ALA . 18.7 mtmt -108.81 149.21 29.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.88 25.56 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -88.92 162.49 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 85' ' ' PRO . 76.9 t -94.47 143.4 26.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -75.0 146.7 32.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . . . 61.74 50.99 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -155.29 145.12 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 m -83.93 148.2 27.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 26.7 m-85 -145.63 129.46 17.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 47.1 mt-30 -108.33 163.08 13.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 14.0 m-85 -145.26 147.06 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -166.34 111.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.8 pt? -116.9 156.38 27.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.618 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.9 p -121.32 174.36 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.33 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.9 t -125.42 123.86 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -131.42 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -53.99 -53.25 55.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.428 HG23 ' CG ' ' A' ' 97' ' ' ASN . 4.0 m -45.02 -42.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 156.37 -147.19 15.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 1.1 ttmm -113.59 148.54 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.15 -110.2 2.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.471 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -144.65 162.82 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.277 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.591 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 22.5 m-85 -93.14 156.89 16.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -82.5 146.62 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -46.28 167.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -74.19 113.75 11.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.469 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . 11.3 p -47.57 174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.4 OUTLIER -66.13 128.7 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.8 ttt180 -36.42 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 109' ' ' GLU . 21.6 t -88.4 118.62 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -105.14 139.82 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -91.25 157.53 42.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.01 143.52 29.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 11.0 tt0 -64.1 158.23 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.3 t -169.1 -57.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 42.31 -153.99 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 62.94 5.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -122.11 81.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 145.09 34.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -140.84 -51.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -166.16 166.82 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.22 104.5 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -169.82 89.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.74 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.79 -166.3 37.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.42 101.89 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.777 . . . . 0.0 110.241 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -132.46 124.47 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.33 143.73 40.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -166.49 110.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.603 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp 62.64 145.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -72.85 138.57 46.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -120.54 156.41 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.3 78.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.529 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -93.03 170.61 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.49 148.22 61.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.64 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 165.31 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 162.33 40.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.82 40.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -110.95 179.42 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.576 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 36.27 55.68 2.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.628 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.576 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.94 77.17 3.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.67 137.94 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -134.98 120.36 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -138.03 145.87 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD22 ' CD ' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -53.87 165.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.1 116.97 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 60.7 p -84.42 37.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 30' ' ' THR . 32.5 m -157.23 -45.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.76 139.54 38.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -85.57 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 57.5 32.65 22.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.92 141.15 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 82.0 mt -113.55 141.73 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -102.55 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -100.13 135.12 42.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -141.23 125.03 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 93' ' ' LEU . 38.4 p90 -138.17 169.81 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.428 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 m -100.19 155.81 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.463 ' CE ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.99 112.83 33.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -82.38 125.81 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.6 p-10 -80.75 142.15 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.529 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -76.2 54.36 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.81 35.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.44 ' CB ' HG21 ' A' ' 99' ' ' VAL . 2.3 t -148.02 142.67 16.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 HD13 ' CE ' ' A' ' 42' ' ' LYS . 4.6 mt -43.55 150.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.03 -48.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -163.11 -175.97 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 5.5 m-85 -138.2 128.0 25.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.515 ' CG2' ' OE2' ' A' ' 56' ' ' GLU . 57.9 mt -96.62 103.73 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -92.44 126.39 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.515 ' OE2' ' CG2' ' A' ' 54' ' ' ILE . 6.7 mp0 -116.59 135.18 54.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 57' ' ' MET . 12.2 tmm? -112.05 142.87 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -125.07 99.14 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 tt0 -86.37 128.81 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 52.84 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLU . 6.7 m-20 -130.32 22.79 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 150.24 89.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.77 32.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.5 m95 -42.82 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -105.69 128.93 53.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.509 ' CG2' ' OE2' ' A' ' 56' ' ' GLU . 16.0 t -66.77 98.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 9.9 mt -75.31 -57.01 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -121.62 110.06 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.03 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.2 p -84.98 100.94 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 66.7 t -124.62 148.49 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.09 137.83 89.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -34.88 3.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.01 -5.65 47.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.95 131.2 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -112.76 -1.69 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.471 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.4 p -138.72 157.26 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 p -152.19 154.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -118.87 127.8 53.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.63 104.92 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -96.2 138.5 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.04 75.3 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 77.4 mt -129.99 163.14 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.48 138.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.54 40.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 56.24 54.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -154.74 144.1 21.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.5 m -80.27 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 22.8 m-85 -144.75 128.61 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 35.8 mt-30 -108.09 165.63 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.47 ' CE2' HG23 ' A' ' 36' ' ' ILE . 60.0 m-85 -152.6 142.39 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.86 109.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -109.42 154.53 22.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 9.4 p -118.94 175.4 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.42 124.19 47.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 101' ' ' LYS . 16.9 t -123.94 120.42 59.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -128.03 179.55 5.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' VAL . 1.3 p30 -50.83 -39.27 52.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 48' ' ' SER . 4.8 t -59.76 -40.05 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.3 -155.58 26.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' A' ' 96' ' ' VAL . 25.7 ttmt -111.98 140.68 46.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -93.07 -115.75 2.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -124.31 172.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.8 m-85 -104.85 149.58 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 p -68.56 158.97 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.11 158.59 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 12.7 p30 -61.54 112.02 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.5 p -50.45 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.3 tt0 -71.65 120.6 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.6 ttm-85 -35.97 102.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.5 106.93 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -94.76 138.61 32.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 140.78 23.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.459 ' CD ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 140.5 25.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.72 101.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.79 -60.64 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.23 159.89 26.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.153 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 85.24 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.3 p -129.78 106.92 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.9 p -100.74 112.76 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -176.47 133.69 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -93.63 167.43 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.53 -174.17 5.83 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -153.38 169.34 23.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.07 139.31 30.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.17 -120.23 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -159.23 155.41 26.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.3 p -95.59 162.89 13.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.98 148.41 44.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.98 -60.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.64 166.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 127.06 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -106.93 124.92 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HG2' ' CG1' ' A' ' 99' ' ' VAL . 4.1 mtm-85 -60.08 82.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -92.46 142.61 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.571 ' CD1' HG21 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -68.08 148.39 98.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.95 141.25 26.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 43' ' ' PRO . 64.1 m170 -62.66 148.81 45.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.545 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.41 165.09 15.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.96 139.88 24.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.7 mt-10 -98.04 175.54 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 34.88 55.17 1.95 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.05 79.04 2.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -95.94 140.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -128.31 109.07 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -106.14 152.59 23.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' CD1' ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -62.61 -179.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 m -118.37 73.22 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.5 p -45.7 -25.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -87.67 -61.06 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -68.29 143.95 55.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 113' ' ' LEU . 3.4 mtp180 50.13 49.58 20.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 80' ' ' VAL . . . -144.66 148.94 34.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.9 mt -126.89 124.48 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' THR . 3.8 m-20 -83.75 106.89 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD12 ' CE3' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -85.04 132.74 34.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -136.69 132.02 34.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CE3' HD12 ' A' ' 38' ' ' LEU . 43.9 p90 -146.23 -179.89 7.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.598 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.8 m -109.44 154.42 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -80.83 113.49 40.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.03 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.5 t80 -81.38 128.8 34.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.5 p-10 -75.72 128.04 34.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -45.73 -76.36 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.47 24.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.12 161.72 28.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.38 42.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.91 151.18 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.408 HD13 ' CA ' ' A' ' 98' ' ' ASP . 35.4 mt -116.18 -62.44 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -152.56 175.62 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.3 m-85 -136.89 125.12 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' CD1' ' HE2' ' A' ' 101' ' ' LYS . 9.4 mt -91.76 103.32 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -92.2 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -101.98 125.82 48.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.442 ' SD ' ' CD1' ' A' ' 67' ' ' LEU . 55.9 ttp -102.82 142.34 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.2 t -125.19 107.94 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -77.59 -165.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 101.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.97 22.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB2' ' CA ' ' A' ' 59' ' ' GLU . . . -85.12 150.83 55.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.52 30.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.665 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 53.4 m95 -44.1 111.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 65' ' ' THR . 10.0 t -110.38 101.77 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 100.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 57' ' ' MET . 10.0 mt -80.51 -52.63 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -112.93 109.76 19.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.16 -35.71 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -108.83 100.47 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.047 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 39.0 t -118.45 153.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.98 138.09 92.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -31.4 6.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.25 22.0 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.24 139.55 45.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 44.1 p -124.21 0.52 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -143.73 142.89 31.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.96 154.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 m -116.92 115.86 26.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.576 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 95.2 t -87.41 149.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -140.98 173.85 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.96 20.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 22.3 mt -109.7 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.459 ' N ' ' OH ' ' A' ' 89' ' ' TYR . 74.8 t -112.67 139.6 22.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 145.3 31.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . . . 60.4 50.36 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -150.17 144.1 25.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.4 m -80.21 150.46 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.8 m-85 -145.97 126.18 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -108.42 158.97 17.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CZ ' HG22 ' A' ' 80' ' ' VAL . 16.8 m-85 -142.77 147.83 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.665 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.01 104.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -110.96 152.36 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.6 p -117.67 174.29 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . . . -102.17 120.9 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -118.09 132.01 69.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.559 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.7 p-10 -141.08 -175.15 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' CA ' HD13 ' A' ' 51' ' ' ILE . 62.5 t0 -50.47 -52.34 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 17' ' ' LEU . 1.5 m -43.7 -51.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 160.15 -133.71 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 54' ' ' ILE . 15.6 ttmt -129.78 135.23 48.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -94.12 -129.32 5.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.425 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -109.34 170.83 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 43.7 m-85 -100.09 179.81 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -99.33 153.55 18.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -49.18 163.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.06 113.74 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.8 p -50.8 145.74 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -48.05 128.64 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -37.26 103.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 67.0 t -95.3 120.44 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p -106.27 142.51 35.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.72 156.77 49.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 134.84 18.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.481 ' HG2' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.31 130.38 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.449 ' N ' ' CD ' ' A' ' 115' ' ' GLU . 48.1 t -85.64 97.08 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 158.03 -147.57 15.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 84.01 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.2 t -135.47 100.54 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.9 t -59.27 115.08 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 19.8 mt -92.33 139.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.99 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.711 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.73 167.2 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -63.54 162.4 27.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 155.13 42.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -108.81 -178.59 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.602 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.88 54.13 3.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.86 139.52 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -132.12 115.48 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.95 151.38 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -60.26 173.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -104.11 96.62 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -70.32 58.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -178.01 -49.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.36 124.0 44.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -71.83 137.32 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.961 ' HA ' HD21 ' A' ' 113' ' ' LEU . 79.7 mtt180 61.33 45.79 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -146.08 139.13 25.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.607 HD13 HG11 ' A' ' 111' ' ' VAL . 65.3 mt -121.27 137.51 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -93.78 107.24 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.718 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -87.08 133.28 33.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 p -136.43 130.57 32.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.841 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.1 p90 -140.82 175.48 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 20.3 m -100.59 158.4 15.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -76.78 113.24 27.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 161.39 38.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.1 t80 -64.27 104.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.1 -64.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ASN . . . 108.79 58.89 0.54 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 1.4 m120 69.54 -53.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -91.63 150.24 40.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.77 41.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD13 ' OH ' ' A' ' 53' ' ' TYR . 9.6 mt -70.24 169.74 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -124.66 -55.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -157.94 175.8 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.66 ' OH ' HD13 ' A' ' 50' ' ' LEU . 12.4 m-85 -130.12 151.0 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 101' ' ' LYS . 42.4 mt -118.1 98.25 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -90.57 109.47 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HD22 ' A' ' 55' ' ' LEU . 14.0 mt-10 -102.23 130.04 48.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 59.5 ttp -101.25 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 t -124.83 101.33 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.642 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 tt0 -68.33 -167.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -55.09 96.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.01 27.08 15.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.46 148.2 38.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.35 31.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.3 m95 -47.92 114.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -114.25 117.1 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.23 101.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.9 mt -86.74 -63.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD22 HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.19 110.22 21.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.84 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -89.72 99.98 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 HD22 ' A' ' 68' ' ' LEU . 3.6 t -122.29 148.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.09 130.24 91.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.618 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.6 Cg_endo -74.94 -23.05 14.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -82.85 -8.42 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 140.48 29.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -118.41 1.71 11.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.8 p -144.17 147.09 33.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.9 p -141.89 156.56 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.0 m -116.48 120.78 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.3 t -92.27 107.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -98.17 156.47 16.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.17 76.79 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 95.2 mt -129.55 164.99 22.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.769 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 87' ' ' ARG . 9.9 t -91.85 132.59 32.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 142.88 28.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 66.05 46.41 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CD ' HG11 ' A' ' 84' ' ' VAL . 31.4 mtt180 -147.73 147.12 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -80.33 146.6 31.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 17.1 m-85 -144.29 129.0 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.49 151.88 27.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.915 ' CE1' HG21 ' A' ' 80' ' ' VAL . 11.0 m-85 -133.93 145.57 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.46 107.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -113.31 150.12 32.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLN . 20.7 p -114.63 175.34 5.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -105.58 127.77 53.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.9 t -121.19 129.99 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 49.4 p-10 -135.95 173.79 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -44.78 -47.07 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.51 -54.07 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 165.88 -159.74 33.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.8 ttmt -107.75 132.58 53.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.15 -111.0 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.767 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 3.9 pm0 -137.03 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 7.5 m-85 -98.02 150.29 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 163.17 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 160.97 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' PRO . 15.7 p -47.78 144.66 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -38.07 127.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.92 99.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 109' ' ' GLU . 16.1 t -92.7 130.87 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -120.87 140.78 51.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.78 156.29 55.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.767 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LEU . 22.1 mt -85.15 140.2 36.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 161.85 38.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 165.41 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.54 163.88 30.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 164.05 34.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -117.82 179.23 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 37.87 54.52 3.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.98 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.7 t -97.13 132.2 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.11 107.42 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -129.12 158.77 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.917 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.7 mt -47.29 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -28.88 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p 52.09 29.74 6.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 32' ' ' GLU . 34.3 m -150.56 -54.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.548 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.72 121.21 34.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -52.7 127.41 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.946 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.1 mmp_? 54.67 51.26 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -135.97 156.98 47.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' THR . 51.3 mt -132.82 147.82 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -95.02 103.31 15.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.706 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -86.73 128.17 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -139.29 125.89 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.6 p90 -139.2 168.82 18.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 m -93.86 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.71 112.31 23.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.94 176.13 10.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.626 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -86.36 127.68 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.626 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.3 p-10 -89.21 154.44 20.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -79.75 59.79 4.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 76.08 -45.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -89.47 151.07 45.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.69 14.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -51.16 153.13 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.58 -53.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -154.93 -178.42 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.638 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.8 m-85 -135.85 133.3 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.99 HD12 ' HE2' ' A' ' 101' ' ' LYS . 41.5 mt -96.82 100.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 93' ' ' LEU . 1.9 tp -89.3 118.76 29.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -110.62 124.26 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.7 ttp -100.86 136.58 40.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.7 t -124.9 101.07 6.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.652 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 tt0 -62.04 -147.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -71.43 96.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.66 12.14 7.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.652 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -73.76 146.87 86.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 146.89 32.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.6 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.5 m95 -48.92 112.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -112.39 115.27 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.07 101.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 67' ' ' LEU . 7.6 mt -85.22 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.26 110.24 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.04 17.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.56 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.7 t -125.76 152.81 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 135.8 88.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.05 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -88.52 11.1 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.85 136.32 43.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 74.6 p -120.53 0.71 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -139.91 151.91 45.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.706 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -154.25 154.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 32' ' ' GLU . 3.7 m -115.76 106.02 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 91' ' ' PHE . 92.8 t -73.45 150.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 14.4 mttm -135.7 -178.79 5.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.16 60.34 8.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 89' ' ' TYR . 87.8 mt -114.8 171.57 7.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.6 t -107.98 143.06 26.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 153.12 41.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 49.18 58.7 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -153.6 143.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.7 m -79.94 152.36 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.1 m-85 -145.94 142.7 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 20.1 mt-30 -130.52 127.21 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.986 ' CE1' HG21 ' A' ' 80' ' ' VAL . 45.4 m-85 -113.48 152.64 29.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.6 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -170.33 108.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.861 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.06 158.19 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.523 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 22.6 p -121.86 175.02 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.29 122.11 44.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.826 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.3 t -118.01 130.33 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' GLY . 47.3 p-10 -137.5 166.72 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -39.64 -48.48 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 99' ' ' VAL . 17.1 t -50.62 -50.39 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 161.02 -162.8 33.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.99 ' HE2' HD12 ' A' ' 54' ' ' ILE . 1.8 ttmt -105.33 143.97 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -95.5 -112.41 2.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -132.31 167.95 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 4.7 m-85 -100.97 153.53 19.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -70.27 162.52 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.56 158.84 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -59.59 112.38 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.906 HG22 ' HB2' ' A' ' 24' ' ' PRO . 43.9 p -53.22 160.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' VAL . 2.1 mt-10 -49.14 116.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 5.6 ttp180 -37.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 36' ' ' ILE . 5.2 p -92.07 124.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -107.11 143.75 34.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.946 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.76 156.91 47.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.917 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 146.89 33.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 7.0 tt0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.768 ' C ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HG11 ' A' ' 99' ' ' VAL . 28.7 mt -57.65 141.64 79.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.67 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.7 158.74 25.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.754 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -67.73 164.83 36.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.59 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.99 140.96 26.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 170.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.5 m-70 47.47 50.36 8.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 106.45 2.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.551 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -114.05 152.05 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . . . -145.91 105.63 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 146.61 47.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.881 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.2 mt -48.85 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -102.55 93.97 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 p -74.87 55.89 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.68 -42.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -108.45 115.18 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -64.6 144.46 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.821 ' HA ' HD21 ' A' ' 113' ' ' LEU . 53.6 mtt180 57.76 34.79 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.61 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -133.95 161.41 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.68 HD12 ' CD2' ' A' ' 83' ' ' LEU . 90.1 mt -139.91 143.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.53 128.9 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 108' ' ' THR . 3.8 tp -123.56 137.34 54.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.5 127.37 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.834 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 41.3 p90 -130.24 178.43 6.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -101.65 156.52 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 111.29 16.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.6 t80 -98.54 125.27 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 50' ' ' LEU . 14.5 t0 -88.75 143.63 26.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.81 -67.25 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -170.77 32.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -143.68 157.67 58.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 123.31 7.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 45' ' ' ASP . 62.6 mt -43.33 146.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.7 mt -100.99 -57.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NH1' HG11 ' A' ' 96' ' ' VAL . 6.0 ptp85 -161.36 -178.41 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.5 m-85 -135.09 134.12 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CD ' ' A' ' 101' ' ' LYS . 63.2 mt -98.57 105.66 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.32 122.33 33.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -116.9 126.11 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.596 ' HB2' HD12 ' A' ' 67' ' ' LEU . 57.9 ttp -101.14 141.7 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 9.1 t -124.56 99.08 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.598 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.2 tt0 -62.63 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.29 92.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.18 18.77 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -82.04 148.41 60.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.04 144.56 30.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 66.1 m95 -49.4 108.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -107.49 119.01 38.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.84 100.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.5 mt -85.59 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.76 110.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.04 -35.84 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 100.62 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.4 149.46 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 136.13 87.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' NZ ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.99 -22.69 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' NZ ' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -91.1 9.51 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 129.86 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -112.38 -5.41 14.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 7.0 p -137.34 148.1 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.55 150.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 76.4 m -118.87 111.67 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 91' ' ' PHE . 12.0 t -81.85 149.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 10.9 mtmt -144.29 150.83 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.29 17.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.68 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.6 mp -81.6 157.74 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.23 132.82 29.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 115' ' ' GLU . . . 74.74 46.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -158.19 146.08 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 m -81.64 152.48 27.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 24.6 m-85 -145.47 136.3 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 79.2 mt-30 -123.71 127.95 48.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.2 m-85 -110.59 155.22 22.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -179.23 114.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.834 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.2 pt? -110.88 169.29 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 2.9 p -129.03 175.18 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.305 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.69 120.95 41.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.492 HG11 ' NH1' ' A' ' 52' ' ' ARG . 50.8 t -116.26 129.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 45' ' ' ASP . 44.5 p-10 -141.5 169.33 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 51' ' ' ILE . 13.3 t70 -40.65 -37.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.768 HG11 ' C ' ' A' ' 16' ' ' GLN . 37.8 t -58.09 -55.46 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.58 179.43 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.641 ' CD ' HD12 ' A' ' 54' ' ' ILE . 9.8 ttpp -68.86 141.77 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.11 -105.79 2.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.754 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -137.32 161.46 36.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.05 145.27 27.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -71.22 145.71 49.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.86 163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.521 ' OD1' ' CZ2' ' A' ' 64' ' ' TRP . 56.7 m-20 -79.29 109.69 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 HD11 ' A' ' 38' ' ' LEU . 32.3 p -44.52 154.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 mt-10 -43.77 130.01 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLU . 4.4 ttm-85 -38.04 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 109' ' ' GLU . 32.4 t -97.58 121.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -108.93 142.83 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.61 140.19 22.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.881 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.97 117.02 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 101' ' ' LYS . 90.9 mt -77.36 145.93 73.21 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.03 150.29 37.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.74 156.78 24.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.57 164.1 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 129.9 12.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -88.64 179.78 6.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.591 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.96 54.56 2.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 79.36 2.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -96.72 136.01 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.84 106.06 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.32 149.98 40.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -72.84 164.65 26.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.6 122.38 33.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.8 p -89.17 27.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 32' ' ' GLU . 24.4 m -146.07 -47.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -97.81 121.56 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -66.54 147.12 53.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 46.5 57.35 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -152.91 127.82 9.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.9 mt -110.69 140.28 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.53 103.65 15.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -87.42 133.31 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.5 p -145.28 126.3 14.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.956 ' CE2' HD11 ' A' ' 93' ' ' LEU . 29.9 p90 -133.23 179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -103.46 156.15 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 112.49 27.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 176.23 10.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 4.2 t80 -89.81 125.4 35.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.3 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.73 -63.62 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -171.34 32.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -154.89 154.89 29.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.53 11.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 ' HE1' ' A' ' 53' ' ' TYR . 83.9 mt -43.91 155.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 97' ' ' ASN . 16.9 mt -116.09 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -158.15 177.85 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.897 ' CD2' HD12 ' A' ' 93' ' ' LEU . 3.5 m-85 -132.81 134.91 45.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.561 HD12 ' CD ' ' A' ' 101' ' ' LYS . 28.3 mt -103.94 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.05 124.62 32.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 66' ' ' VAL . 1.8 mm-40 -112.68 120.58 42.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 36.1 ttp -102.29 139.52 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -124.73 114.39 19.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.5 tt0 -76.56 -146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -72.9 97.81 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.03 14.95 4.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.47 149.0 83.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.81 29.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 73.8 m95 -43.9 115.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -117.37 110.13 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 54.9 t -55.03 101.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.72 -61.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 71' ' ' VAL . 1.2 mt -109.18 114.21 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.0 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.81 102.45 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 68' ' ' LEU . 23.5 t -123.21 152.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 134.27 89.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.91 12.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.807 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -90.97 19.21 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.26 137.29 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.7 p -119.22 -0.08 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 10.5 p -142.03 150.54 41.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.5 p -147.98 156.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.431 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 33.9 m -113.75 132.28 55.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 54.3 t -109.89 100.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 79' ' ' THR . 7.2 mttp -105.77 143.13 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.89 -8.59 16.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -53.71 158.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 85' ' ' PRO . 81.2 t -100.28 142.94 25.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 140.55 25.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 71.82 46.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 37.6 mtt180 -151.26 146.95 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -89.59 145.94 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.595 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 74.0 m-85 -145.1 146.12 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.572 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 23.9 mt-30 -123.06 166.51 15.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 16.8 m-85 -149.79 145.73 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -170.64 104.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.956 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -100.57 168.0 9.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 15.7 p -134.14 174.12 10.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -102.36 134.99 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 55.4 t -134.87 131.22 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -139.01 -174.27 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.585 ' OD1' HG13 ' A' ' 99' ' ' VAL . 17.6 p-10 -53.04 -50.59 63.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.757 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -46.4 -51.44 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 153.26 -170.69 32.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.762 ' O ' HD22 ' A' ' 17' ' ' LEU . 3.5 ttpt -74.23 153.18 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.14 -101.06 2.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.723 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 8.8 pt20 -150.66 152.64 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 33.9 m-85 -87.05 172.46 9.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -98.19 162.93 12.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 163.58 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -68.55 113.45 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.5 p -53.9 146.96 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.7 tt0 -36.79 123.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.28 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' GLU . 39.1 t -89.51 116.74 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.09 150.06 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.977 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -84.89 151.43 57.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.977 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 2.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 3.1 pt20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 99' ' ' VAL . 33.8 mt -69.23 147.62 97.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.4 Cg_endo -74.92 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -123.6 158.09 32.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 104' ' ' PHE . . . -64.29 161.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.1 Cg_endo -74.99 119.99 5.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -82.28 172.47 13.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 43.8 51.77 8.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.02 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -108.21 151.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.51 105.84 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.3 156.61 36.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.827 HD11 ' HD3' ' A' ' 114' ' ' PRO . 2.3 mt -61.04 165.02 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 101.64 12.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p -74.58 -0.75 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -109.56 -35.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.5 mm-40 -116.31 138.71 51.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -83.86 141.37 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.975 ' HA ' HD21 ' A' ' 113' ' ' LEU . 2.0 mtp180 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -120.5 167.17 12.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.609 HG21 ' HE2' ' A' ' 91' ' ' PHE . 88.7 mt -140.44 139.3 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.62 134.16 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 108' ' ' THR . 2.1 tp -127.62 136.39 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -141.47 126.09 17.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.2 p90 -125.94 174.25 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 107.981 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -97.78 156.89 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.95 112.39 24.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -75.01 175.71 10.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.7 t80 -80.88 126.76 31.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.554 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 4.2 p-10 -81.06 137.5 36.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.83 53.74 4.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.7 t30 61.17 17.58 8.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -128.8 145.54 56.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -43.76 139.1 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 97' ' ' ASN . 10.5 mm -96.28 -59.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -162.17 -165.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -146.4 124.73 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.757 HG22 ' OE2' ' A' ' 56' ' ' GLU . 27.6 mt -92.37 103.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.39 121.98 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' OE2' HG22 ' A' ' 54' ' ' ILE . 1.6 mp0 -113.57 121.8 45.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 58' ' ' SER . 51.4 ttp -100.88 148.07 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.5 t -124.46 112.5 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.67 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 3.4 tt0 -78.5 97.75 5.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 55.11 -94.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.99 37.44 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -97.87 150.8 37.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.49 30.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 63.6 m95 -43.31 110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.8 114.13 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 70.4 t -55.47 101.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.4 -61.59 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -108.34 110.52 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' ARG . . . -90.63 -26.03 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.69 100.44 7.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 42.5 t -123.81 151.6 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.39 137.49 86.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.74 11.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.59 22.81 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.38 133.9 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -115.91 -2.24 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.6 p -139.67 150.18 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.57 157.1 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 38.6 m -124.92 121.99 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 ' CE1' ' A' ' 91' ' ' PHE . 39.6 t -93.47 141.29 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -134.33 150.64 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 30.54 7.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.599 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -86.03 -177.92 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 85' ' ' PRO . 86.3 t -119.63 141.8 31.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 140.72 25.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.752 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 67.84 47.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -152.02 140.55 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 m -81.83 148.69 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -145.33 131.09 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 57' ' ' MET . 43.7 mt-30 -109.24 153.99 23.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.863 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -139.23 141.84 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.0 113.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -112.27 164.56 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.555 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 9.3 p -128.85 172.54 11.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.18 124.79 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG22 ' HG3' ' A' ' 101' ' ' LYS . 32.7 t -125.38 127.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.542 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -133.6 -177.17 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.4 t70 -52.73 -52.51 56.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.613 HG23 HD23 ' A' ' 17' ' ' LEU . 7.4 m -44.75 -46.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 161.09 -152.71 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -103.96 151.47 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -109.67 -159.6 18.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.99 171.28 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 6.8 m-85 -106.51 175.22 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.7 p -101.21 149.57 23.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -54.36 159.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.407 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 3.1 p-10 -69.4 112.98 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.763 HG21 HD11 ' A' ' 38' ' ' LEU . 21.2 p -47.1 174.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -65.08 125.78 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.6 ttt180 -34.18 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 109' ' ' GLU . 51.9 t -87.86 118.35 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.1 p -107.19 142.34 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.975 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -90.74 156.13 45.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.827 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.04 138.4 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.752 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 6.0 tt0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 15.1 mt -92.13 143.05 26.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.94 128.17 11.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 164.17 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -64.81 165.02 16.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.1 mm-40 -102.46 177.82 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.589 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 36.96 55.19 3.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.93 79.72 2.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.1 t -97.95 147.44 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -141.73 124.53 16.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 141.66 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -47.88 172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -101.57 -18.23 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.5 p 45.78 25.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -141.14 -58.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.608 ' N ' HG12 ' A' ' 31' ' ' VAL . 3.8 mm-40 -81.62 138.14 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 16.4 mmt180 -56.85 128.93 39.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 1.001 ' HA ' HD21 ' A' ' 113' ' ' LEU . 4.2 mpp_? 37.43 56.78 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -130.35 141.35 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 91' ' ' PHE . 85.6 mt -117.35 145.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.69 114.53 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.658 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tp -100.1 145.65 27.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -149.71 123.74 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.874 ' CE2' HD11 ' A' ' 93' ' ' LEU . 47.5 p90 -133.18 174.07 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -102.19 155.95 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -79.39 113.4 36.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 175.39 11.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.3 t80 -85.48 128.86 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.8 p-10 -78.78 133.84 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.6 -33.73 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 167.99 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.97 160.58 32.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.76 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.765 HD13 ' OH ' ' A' ' 53' ' ' TYR . 75.4 mt -41.11 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' ASP . 17.1 mm -115.51 -60.38 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -158.35 -178.39 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.765 ' OH ' HD13 ' A' ' 50' ' ' LEU . 19.4 m-85 -137.06 138.08 40.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 28.0 mt -103.2 99.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.799 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.66 117.25 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 11.1 mt-10 -110.3 128.85 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 49.8 ttp -104.12 147.22 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.2 t -122.41 107.41 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.653 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 25.0 tt0 -75.46 96.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 56.29 -92.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -113.41 33.93 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -94.11 148.62 35.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.55 31.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 61.2 m95 -43.61 108.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -108.47 116.63 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.5 t -54.92 100.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HG13 ' A' ' 80' ' ' VAL . 12.9 tp -87.9 -57.77 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.83 109.98 19.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.98 -55.51 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.1 147.17 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 135.36 88.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.19 10.2 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -84.89 0.1 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.47 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.46 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 2.6 p -117.04 2.4 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p -145.02 150.25 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.799 HG11 HD12 ' A' ' 55' ' ' LEU . 4.0 p -145.86 156.02 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.7 m -123.69 110.56 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 91' ' ' PHE . 75.3 t -79.14 150.49 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 5.8 mttp -144.47 143.43 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 20.8 10.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -79.28 -178.61 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.747 HG13 ' HD2' ' A' ' 85' ' ' PRO . 57.3 t -123.45 143.96 42.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.747 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 145.02 30.9 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 64.63 50.09 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -154.03 142.36 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -83.21 146.79 28.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.562 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 44.2 m-85 -144.65 129.54 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 21.0 mt-30 -108.74 157.53 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.678 ' HE2' HG21 ' A' ' 36' ' ' ILE . 56.7 m-85 -143.13 143.04 31.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.08 109.01 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.8 pt? -107.3 160.85 15.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.5 p -122.63 174.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.05 121.26 44.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.717 HG22 ' HG2' ' A' ' 101' ' ' LYS . 12.0 t -120.29 134.93 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.3 p-10 -133.76 -171.92 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 51' ' ' ILE . 21.1 t0 -64.06 -24.06 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.6 t -69.52 -59.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.92 -169.05 40.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.717 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -87.39 118.97 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.447 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . . . -66.72 -119.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.607 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.4 pt20 -143.07 157.18 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -84.71 159.25 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -87.12 165.03 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -58.34 159.08 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.422 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -64.3 109.42 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' PRO . 10.8 p -52.35 152.57 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -46.16 114.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 109' ' ' GLU . 10.7 ttm-85 -34.83 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' GLU . 23.5 t -88.82 108.48 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -94.54 141.55 28.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.001 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -92.83 140.99 23.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.03 152.62 40.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 14.2 mt -75.25 137.78 71.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 164.42 9.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.36 164.76 17.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 143.82 29.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.4 mt-10 -99.7 179.66 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.575 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 35.76 55.45 2.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 134.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.42 113.84 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -123.48 152.34 41.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -55.03 -178.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.1 t -109.65 97.06 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p -76.34 54.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.14 -43.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.35 165.57 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -108.62 126.94 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.851 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER 63.8 51.19 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -149.52 157.85 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 27' ' ' THR . 23.6 mt -133.67 142.37 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.96 109.8 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.723 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.99 134.38 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.5 p -141.72 125.87 17.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.918 ' CE2' HD11 ' A' ' 93' ' ' LEU . 39.7 p90 -137.38 179.02 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.4 m -104.68 156.12 18.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -79.3 112.4 28.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.06 176.23 10.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.786 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' ' OE1' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -72.28 98.59 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' PHE . 8.6 p-10 -39.79 -44.47 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.527 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . 115.83 -42.25 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.18 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.52 159.0 30.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.6 mt -40.52 151.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 98' ' ' ASP . 17.2 mt -104.25 -57.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 54' ' ' ILE . 11.4 ptp180 -164.27 -177.24 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.683 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.1 m-85 -138.84 137.13 36.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.623 HD13 ' C ' ' A' ' 53' ' ' TYR . 4.7 mm -102.72 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -86.11 114.81 23.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -105.9 129.88 53.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' HD12 ' A' ' 67' ' ' LEU . 39.1 ttp -105.47 143.29 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.1 t -124.56 94.97 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.1 tt0 -58.67 -153.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -69.71 95.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.39 11.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -74.86 147.4 83.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 142.77 28.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 76.8 m95 -44.88 108.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -108.54 122.8 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.38 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -80.85 -66.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -107.87 110.46 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -87.14 -32.84 19.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.54 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -114.1 102.88 10.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 68' ' ' LEU . 49.2 t -123.73 153.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -68.79 140.72 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -91.71 33.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -120.98 125.2 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.506 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 15.3 p -113.77 15.53 18.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.5 p -155.51 148.8 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.662 HG12 ' HB3' ' A' ' 38' ' ' LEU . 7.6 p -148.07 155.19 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.7 m -117.18 108.92 16.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.749 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 68.8 t -75.71 147.93 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -140.05 -178.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.37 51.02 58.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -108.58 173.84 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' A' ' 85' ' ' PRO . 38.8 t -116.4 136.88 23.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.0 138.65 23.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.76 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 77.63 43.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -150.18 140.85 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.4 m -80.85 141.51 34.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 37.8 m-85 -138.67 138.88 38.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 46.1 mt-30 -115.97 164.22 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 17.4 m-85 -147.81 141.02 25.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.51 101.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.918 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -103.32 155.1 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.6 p -121.37 170.33 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -99.3 121.44 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.487 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 75.9 t -115.8 132.21 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 39.0 p-10 -142.52 167.19 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.552 ' N ' HD12 ' A' ' 51' ' ' ILE . 18.8 t0 -39.4 -37.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.5 t -56.38 -63.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.01 176.23 37.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 4.9 ttpt -68.85 127.92 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.58 -114.44 0.48 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.794 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 4.2 pm0 -136.74 159.57 41.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 56' ' ' GLU . 47.1 m-85 -94.42 148.73 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -72.74 161.1 31.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -55.63 159.49 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.05 108.07 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' GLU . 11.4 p -46.28 140.75 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.811 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 tt0 -37.35 128.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -37.35 97.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 109' ' ' GLU . 58.3 t -92.11 123.89 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -114.12 142.4 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.06 157.62 50.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.654 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 133.61 16.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.76 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 23.9 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.644 HD23 HG23 ' A' ' 99' ' ' VAL . 74.7 mt -75.42 146.26 80.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.1 Cg_endo -75.02 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -100.26 156.29 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.63 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.72 162.61 34.75 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.01 119.64 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.7 mp0 -81.37 173.88 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.631 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 42.12 52.32 6.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.648 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -74.96 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -105.3 149.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.74 104.89 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -120.31 165.83 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.704 HD23 HG12 ' A' ' 36' ' ' ILE . 4.3 mt -76.95 171.58 14.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 49.3 m -103.66 116.8 33.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.597 ' O ' HG13 ' A' ' 31' ' ' VAL . 20.7 p -91.25 35.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 30' ' ' THR . 20.0 m -158.46 -44.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 1.3 mp0 -95.77 113.79 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -56.22 134.6 53.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.704 ' HA ' HD21 ' A' ' 113' ' ' LEU . 7.3 mmt-85 51.08 48.24 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -133.75 140.13 46.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' THR . 81.3 mt -119.8 141.6 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.3 m-20 -102.46 130.38 49.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -124.36 135.13 53.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -143.03 127.34 17.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 39.9 p90 -126.31 178.22 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -101.91 156.98 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.4 112.46 26.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.439 1.757 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -87.89 126.33 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.8 p-10 -77.31 131.63 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.29 -43.27 57.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.04 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 160.97 31.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.0 36.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.4 mt -65.21 138.27 58.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 97' ' ' ASN . 30.3 mt -96.1 -47.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.21 -168.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.647 ' HE1' HD13 ' A' ' 50' ' ' LEU . 9.6 m-85 -146.73 132.91 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.751 HD12 ' HE2' ' A' ' 101' ' ' LYS . 69.1 mt -92.82 100.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -90.7 118.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.683 ' N ' HD22 ' A' ' 55' ' ' LEU . 18.7 mt-10 -110.57 137.97 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 58' ' ' SER . 40.9 ttp -115.86 145.32 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 57' ' ' MET . 0.3 OUTLIER -122.04 118.58 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.64 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 32.5 tt0 -101.53 93.36 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 61' ' ' ASN . 10.8 m120 55.46 112.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 60' ' ' ASN . 30.3 m-80 28.02 45.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.64 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -104.91 148.76 36.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 58.0 m95 -43.87 107.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -104.13 118.32 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.98 99.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 67' ' ' LEU . 6.4 mt -83.79 -59.2 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -110.62 109.5 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.9 -45.06 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.04 98.88 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -118.15 151.31 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 131.88 89.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.29 15.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -96.09 5.97 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.39 135.99 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.56 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -116.14 -2.43 12.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 6.9 p -139.66 153.23 47.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.06 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.38 157.4 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 89.2 m -118.94 135.73 54.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.016 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.0 t -108.43 102.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.36 155.37 16.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.76 74.6 0.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 61.9 mt -127.78 166.03 18.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.477 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.9 t -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.477 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 148.03 34.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB2' ' CA ' ' A' ' 115' ' ' GLU . . . 59.21 52.21 6.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -152.76 144.95 23.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 146.12 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 18.7 m-85 -145.05 125.43 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' MET . 31.4 mt-30 -108.08 156.27 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.016 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.6 m-85 -142.82 135.1 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.79 116.77 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -117.27 160.15 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.59 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 24.6 p -126.28 165.33 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.82 127.73 36.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.751 HG22 ' HG3' ' A' ' 101' ' ' LYS . 20.8 t -127.17 127.47 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -134.22 -175.3 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' HD12 ' A' ' 51' ' ' ILE . 23.2 t0 -49.65 -57.64 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.644 HG23 HD23 ' A' ' 17' ' ' LEU . 2.9 m -42.82 -50.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 162.32 -143.45 8.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.3 ttmt -118.01 145.07 45.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -94.32 -113.55 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.812 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.4 pm0 -129.03 169.26 14.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 59.8 m-85 -98.35 167.84 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 p -93.0 154.32 18.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -52.7 160.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -71.19 111.68 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 46.2 p -50.84 152.07 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.2 mt-10 -41.84 120.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -34.83 97.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.7 t -89.02 116.3 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 p -110.71 141.38 44.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -91.28 146.79 34.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.661 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.93 141.2 26.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.442 ' CA ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 HG23 ' A' ' 99' ' ' VAL . 84.7 mt -70.93 143.27 88.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.97 173.92 13.67 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -106.16 155.33 19.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.578 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -63.91 163.93 19.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 142.33 27.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.8 mt-10 -101.93 178.62 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.627 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 39.06 52.62 3.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.03 75.55 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.39 127.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.755 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -119.22 123.87 45.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -134.52 148.04 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.4 mt -52.57 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -14.28 19.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p 39.53 52.13 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER 177.37 -50.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -89.18 167.51 13.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.6 mtt180 -59.88 -139.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.881 ' HA ' HD21 ' A' ' 113' ' ' LEU . 1.9 mpt_? -66.36 58.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . -118.09 133.62 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' CD2' ' A' ' 83' ' ' LEU . 63.0 mt -117.08 135.71 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -92.01 111.02 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.755 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.57 135.85 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -140.33 123.69 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.907 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.9 p90 -135.03 176.11 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 m -103.59 154.89 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 113.48 39.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.04 175.98 10.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.5 t80 -88.13 128.69 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 2.6 p-10 -78.42 133.54 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.1 -44.62 42.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.57 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 158.29 37.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.0 34.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.529 1.805 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 53' ' ' TYR . 75.6 mt -58.62 145.26 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 98' ' ' ASP . 25.5 mt -105.02 -41.86 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' NH2' HG21 ' A' ' 51' ' ' ILE . 6.5 ptp85 -168.75 173.44 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 m-85 -128.06 136.4 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 40.3 mt -105.4 101.68 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 78' ' ' VAL . 6.8 tp -89.06 128.64 35.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -120.62 123.74 43.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 58' ' ' SER . 44.1 ttp -106.34 147.57 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.409 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.4 t -122.36 109.99 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.679 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 26.4 tt0 -77.38 92.18 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 58.67 -94.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -108.66 33.29 4.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.679 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -95.88 148.34 34.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 145.32 31.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 73.3 m95 -43.96 108.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.9 115.68 30.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.78 100.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -81.09 -57.04 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.38 111.13 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.32 -67.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 106.92 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 68' ' ' LEU . 12.3 t -120.18 153.32 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.27 127.66 92.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.08 11.5 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.86 138.09 50.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 2.0 p -115.5 4.31 14.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 5.3 p -145.38 148.3 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 55' ' ' LEU . 9.7 p -146.04 152.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.1 m -104.03 133.6 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 91' ' ' PHE . 86.2 t -108.15 101.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -99.3 168.94 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.75 46.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.792 ' HB3' HD13 ' A' ' 113' ' ' LEU . 2.9 mp -93.84 160.68 14.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 85' ' ' PRO . 64.1 t -102.23 139.27 20.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.4 27.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 69.65 48.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -153.81 144.84 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -80.73 146.94 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 21.8 m-85 -145.39 128.41 16.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -108.84 158.4 17.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.6 m-85 -141.82 136.57 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -158.72 107.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.907 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -105.59 160.05 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 21.0 p -125.22 174.15 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.43 127.46 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.841 HG22 ' HG3' ' A' ' 101' ' ' LYS . 12.5 t -127.28 130.43 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -135.27 -174.2 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.549 ' N ' HD12 ' A' ' 51' ' ' ILE . 36.9 t70 -54.79 -44.65 73.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.72 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -53.79 -42.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.11 -151.49 23.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' ' 96' ' ' VAL . 2.7 ttmt -112.65 142.52 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.92 -108.91 1.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.721 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -139.75 168.41 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 56' ' ' GLU . 8.2 m-85 -99.6 159.46 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 2.9 p -79.2 157.13 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 161.65 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.24 101.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.888 HG22 ' HB2' ' A' ' 24' ' ' PRO . 22.0 p -42.39 150.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -36.47 118.13 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -37.02 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 109' ' ' GLU . 85.3 t -93.27 135.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 t -126.23 141.83 51.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.881 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -86.15 156.19 57.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.816 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 152.51 40.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.723 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.2 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.829 HD23 HG23 ' A' ' 99' ' ' VAL . 33.6 mt -81.72 138.68 47.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.08 132.93 15.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.742 ' HE1' ' HA ' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -65.2 163.71 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.658 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -65.73 163.96 30.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 152.92 41.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.8 mt-10 -110.74 178.58 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.636 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 41.86 52.09 6.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.875 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.95 82.99 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.72 134.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.75 107.35 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -125.54 164.1 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.1 mt -59.05 165.04 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -94.39 111.12 22.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.4 p -84.37 11.63 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 32' ' ' GLU . 30.0 m -127.29 -49.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.466 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm-40 -104.13 130.98 51.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 mmt-85 -73.86 140.61 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.834 ' HA ' HD21 ' A' ' 113' ' ' LEU . 52.4 mtm180 61.96 29.6 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -124.35 169.54 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.754 HD13 HG11 ' A' ' 111' ' ' VAL . 68.1 mt -140.25 139.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 106.24 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.719 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -95.04 125.54 39.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -140.02 123.86 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.8 p90 -130.76 179.48 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' GLU . 7.8 m -103.13 158.75 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -76.6 113.28 27.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.742 ' HA ' ' HE1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 148.84 35.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.8 t80 -66.63 129.18 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 6.2 p-10 -79.91 130.03 34.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.99 -35.27 48.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 174.36 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.9 157.89 35.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.48 31.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.19 145.49 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.8 -51.2 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -159.15 179.52 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 1.119 ' CD1' HD12 ' A' ' 93' ' ' LEU . 2.1 m-85 -133.48 137.19 45.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.826 HD12 ' HE2' ' A' ' 101' ' ' LYS . 10.5 mt -112.64 100.65 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 2.1 tp -88.64 117.06 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -105.03 118.0 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.4 ttp -101.3 141.95 33.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 t -124.77 107.51 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.706 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.6 tt0 -68.91 -162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -55.78 99.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.69 18.18 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -80.35 149.03 68.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.92 29.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.638 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.9 m95 -44.37 110.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -110.79 113.28 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.841 HG22 ' CD ' ' A' ' 56' ' ' GLU . 58.0 t -56.13 100.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 67' ' ' LEU . 3.6 mt -78.93 -65.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -107.88 110.16 21.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.51 -49.89 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.52 100.07 11.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 9.1 t -123.33 152.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.4 135.35 88.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.33 9.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 7.04 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.55 126.73 52.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.9 p -108.16 -1.14 20.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.554 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 6.1 t -141.71 164.42 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.719 HG12 ' HB3' ' A' ' 38' ' ' LEU . 3.8 p -158.84 154.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.9 m -116.41 108.39 15.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' A' ' 91' ' ' PHE . 79.2 t -79.12 145.24 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -135.18 167.16 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.58 68.95 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.31 168.14 11.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.8 t -95.15 130.74 31.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -74.98 147.48 34.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 115' ' ' GLU . . . 64.41 52.96 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -157.45 143.99 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -80.14 154.1 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 27.1 m-85 -145.08 139.74 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' MET . 45.2 mt-30 -127.47 127.43 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.1 m-85 -111.65 151.9 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.638 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -172.89 104.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.119 HD12 ' CD1' ' A' ' 53' ' ' TYR . 1.4 pt? -104.18 163.68 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 30.0 p -126.15 174.85 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.59 121.72 44.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.701 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.0 t -121.38 131.28 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 4.0 p-10 -138.76 -175.84 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -46.26 -59.73 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.829 HG23 HD23 ' A' ' 17' ' ' LEU . 2.3 m -40.91 -49.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 157.46 -145.8 12.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.826 ' HE2' HD12 ' A' ' 54' ' ' ILE . 20.5 ttmt -113.98 146.86 39.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.86 -110.78 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.658 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.2 pt20 -133.96 164.87 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 9.3 m-85 -95.08 167.5 11.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 p -88.1 161.95 17.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.09 157.65 21.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 25.7 p30 -59.61 109.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.875 HG22 ' HB2' ' A' ' 24' ' ' PRO . 40.9 p -52.0 155.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -39.8 111.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.47 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.754 HG11 HD13 ' A' ' 36' ' ' ILE . 1.7 p -90.64 133.42 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -118.13 141.45 48.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.834 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -88.17 157.49 50.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.689 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 145.1 30.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.805 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 7.3 tm-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 17' ' ' LEU . 14.7 mt -62.28 144.76 94.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.57 159.39 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.64 164.79 17.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.96 154.17 42.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.9 mt-10 -105.69 178.25 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.67 56.12 2.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.04 81.98 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.2 t -97.03 139.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.69 121.47 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.53 143.38 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -57.25 165.46 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.5 t -88.19 108.23 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.0 p -76.71 -0.07 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.31 -33.32 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . 3.1 mm-40 -114.33 151.92 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -92.36 150.88 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 45.98 35.56 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -132.44 133.58 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.792 HD12 ' CD1' ' A' ' 83' ' ' LEU . 54.1 mt -106.76 146.29 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.21 116.59 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 26' ' ' ALA . 2.1 tp -102.9 139.38 38.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -141.77 122.86 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.813 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.0 p90 -134.45 168.36 19.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m -96.06 156.61 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.73 113.33 34.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.17 11.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.8 t80 -91.7 125.7 36.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.9 p30 -87.59 139.28 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -36.16 -71.77 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.68 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.99 159.41 37.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 123.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' OH ' ' A' ' 53' ' ' TYR . 7.1 mt -40.08 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.1 mt -111.03 -52.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -166.22 175.71 8.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.643 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.6 m-85 -133.95 135.25 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.809 HD12 ' HE2' ' A' ' 101' ' ' LYS . 56.5 mt -97.69 99.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 120.36 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.81 129.79 55.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 63.2 ttp -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 t -124.99 104.75 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.623 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.3 tt0 -71.28 -151.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 88' ' ' SER . 3.4 m-20 -66.47 95.68 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.15 13.0 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -75.6 147.24 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.09 29.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.26 108.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -106.55 115.49 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.24 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 80' ' ' VAL . 15.9 tp -82.31 -55.64 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -117.62 110.49 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.33 -32.81 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.525 ' O ' HD22 ' A' ' 68' ' ' LEU . 42.7 t -111.1 101.32 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 69.7 t -120.66 148.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.94 88.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.22 16.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -91.15 -2.87 57.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.92 127.99 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.5 p -111.94 0.17 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -143.05 150.62 39.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 38' ' ' LEU . 4.1 p -143.58 157.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 41.9 m -120.83 136.89 54.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.838 HG21 ' CE1' ' A' ' 91' ' ' PHE . 49.0 t -113.87 101.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.65 164.17 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.5 69.65 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 36' ' ' ILE . 18.2 mt -118.99 154.37 33.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 24.8 t -91.12 135.63 28.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 144.97 31.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 65.54 49.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -148.63 144.96 27.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.411 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.44 143.33 33.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 30.4 m-85 -143.9 134.03 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 7.3 mm-40 -126.14 164.68 20.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' HG21 ' A' ' 80' ' ' VAL . 86.1 m-85 -149.6 154.91 39.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 ptt180 -172.35 110.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.1 pt? -110.11 155.85 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 13.5 p -119.69 175.56 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.51 122.43 44.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 101' ' ' LYS . 26.4 t -119.61 124.86 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 44.6 p-10 -135.9 170.89 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HD12 ' A' ' 51' ' ' ILE . 29.4 t0 -40.67 -54.47 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.0 t -46.35 -47.99 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 156.8 -159.78 29.83 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 96' ' ' VAL . 23.2 ttmt -107.01 141.7 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.799 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.34 -106.25 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -137.32 169.8 17.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 6.4 m-85 -100.9 145.12 29.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -64.16 155.22 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.48 162.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.1 p-10 -65.61 113.17 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 38' ' ' LEU . 12.6 p -54.05 146.92 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.0 OUTLIER -37.36 110.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.3 ttt180 -30.6 97.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.5 t -88.04 113.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 t -101.0 142.27 32.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.0 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.2 OUTLIER -77.18 136.56 65.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 1.0 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.02 129.91 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 15.0 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 17' ' ' LEU . 11.3 mt -93.26 140.89 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.95 165.66 30.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -105.57 159.48 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' C ' ' A' ' 103' ' ' GLN . . . -65.28 164.39 24.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 153.48 41.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 23' ' ' HIS . 10.6 mt-10 -106.48 176.09 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.733 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.6 p-80 33.03 56.47 1.37 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.95 81.67 2.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.62 143.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.717 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -136.17 106.66 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -107.29 145.98 32.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.733 HD23 HG12 ' A' ' 36' ' ' ILE . 6.5 mt -56.38 177.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -121.19 66.01 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 p -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 32' ' ' GLU . 16.1 m -75.28 -52.62 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.9 mm-40 -98.46 121.7 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt-85 -71.38 129.06 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.846 ' HA ' HD21 ' A' ' 113' ' ' LEU . 45.3 mtm-85 70.81 39.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -138.39 160.39 39.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.733 HG12 HD23 ' A' ' 28' ' ' LEU . 67.4 mt -140.11 132.24 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' THR . 13.3 m-20 -88.77 105.51 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.717 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.89 131.84 34.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.6 p -137.65 128.88 27.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.77 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.6 p90 -143.97 175.95 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.446 ' OG1' ' CE1' ' A' ' 23' ' ' HIS . 1.5 m -103.67 155.76 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 112.99 32.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.7 t80 -85.74 128.37 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -86.39 153.25 22.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 47' ' ' ASN . . . -82.19 69.75 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.1 t-20 75.4 -51.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -88.15 146.51 38.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.29 12.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.73 149.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.42 -52.47 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -155.4 -173.51 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 93' ' ' LEU . 11.1 m-85 -138.49 137.88 37.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.653 HD12 ' HE2' ' A' ' 101' ' ' LYS . 22.3 mt -105.43 99.11 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.62 116.42 26.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -113.38 136.54 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.555 ' O ' HG22 ' A' ' 65' ' ' THR . 7.0 tmm? -110.63 147.44 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 13.3 t -126.6 89.05 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -62.92 -168.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 62' ' ' ALA . 1.9 m-80 -41.84 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.72 29.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.06 147.17 36.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 141.3 26.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.0 m95 -44.22 119.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 57' ' ' MET . 3.2 t -116.31 128.82 55.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.56 100.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 80' ' ' VAL . 12.7 tp -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.68 109.95 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.41 -61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 100.04 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.04 147.72 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.56 137.6 88.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.27 3.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -78.89 -2.59 40.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.99 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.459 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 17.2 p -121.29 8.17 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -150.16 146.18 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 38' ' ' LEU . 6.0 p -148.3 153.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -119.01 114.09 21.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 67' ' ' LEU . 48.1 t -85.83 149.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.08 158.73 43.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.65 22.66 38.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.564 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.1 mp -81.63 160.15 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.37 135.7 23.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.49 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.95 143.6 29.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 70.63 47.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -155.57 149.81 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.12 150.18 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.2 m-85 -145.56 119.66 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 57' ' ' MET . 82.4 mt-30 -109.12 128.32 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.434 ' HZ ' HD21 ' A' ' 83' ' ' LEU . 25.8 m-85 -111.84 152.4 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.65 ' NH1' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -168.95 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.05 161.72 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.524 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 20.5 p -125.68 175.11 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.43 121.58 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 101' ' ' LYS . 25.3 t -115.44 132.63 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 46.7 p-10 -138.92 165.71 26.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' ASN . 56.5 t0 -39.38 -47.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 16' ' ' GLN . 21.2 t -50.58 -61.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.25 -172.44 41.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -70.14 146.46 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.2 -109.32 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.701 ' C ' ' HB2' ' A' ' 20' ' ' ALA . 1.5 mt-30 -131.84 156.63 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CD2' ' NH1' ' A' ' 92' ' ' ARG . 39.2 m-85 -100.56 143.36 30.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 p -75.6 149.09 38.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 162.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -67.99 115.45 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 24' ' ' PRO . 17.9 p -49.26 145.08 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -38.04 127.43 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.5 OUTLIER -38.06 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 109' ' ' GLU . 53.8 t -88.26 119.51 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 136.21 46.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.846 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -92.87 140.73 23.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.576 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 149.09 36.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.475 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.07 148.37 51.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 64.2 m170 -98.23 147.49 24.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.2 164.21 19.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -75.05 120.65 6.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 4.7 mt-10 -86.98 175.73 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 38.58 52.55 3.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.605 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.88 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.1 Cg_endo -74.97 77.82 3.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 23' ' ' HIS . 2.0 t -97.2 128.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -115.36 121.47 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -117.62 149.16 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 36' ' ' ILE . 4.0 mt -66.46 177.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -109.99 99.57 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -74.62 -6.03 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 32' ' ' GLU . 20.3 m -108.92 -51.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.0 tm-20 -96.5 123.89 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -71.79 140.07 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.757 ' HA ' HD21 ' A' ' 113' ' ' LEU . 81.0 mtt180 59.71 39.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -134.97 151.34 50.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.726 HG12 HD23 ' A' ' 28' ' ' LEU . 68.6 mt -132.31 125.86 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' THR . 9.7 m-20 -92.48 114.9 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 26' ' ' ALA . 1.5 tp -94.1 145.62 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -147.06 121.19 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.84 ' CE2' HD11 ' A' ' 93' ' ' LEU . 45.2 p90 -129.42 -175.76 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.056 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 m -106.09 155.26 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 112.83 34.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 175.85 10.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 38.1 t80 -86.84 152.17 22.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 2.6 p-10 -97.39 126.24 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.56 -40.01 61.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -178.31 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.71 158.8 35.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.41 42.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.51 136.07 54.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.57 -52.37 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 0.2 OUTLIER -165.68 -169.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -142.81 144.61 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 71.2 mt -107.96 99.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.861 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.8 120.08 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 4.0 mt-10 -112.52 123.24 49.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 ttp -103.6 138.12 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.94 118.62 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 16.8 tt0 -133.06 137.46 46.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' ASN . 2.4 m-20 63.84 69.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ASN . 21.8 m-80 36.19 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . -90.9 150.34 41.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.45 34.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 67.7 m95 -43.06 109.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -104.22 114.73 29.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.36 100.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -86.66 -59.59 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.791 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.01 109.82 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.51 -40.89 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 22.6 t -101.56 100.34 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.791 HG22 HD13 ' A' ' 68' ' ' LEU . 55.6 t -121.59 152.36 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -70.3 138.12 86.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.86 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -86.53 9.83 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -97.56 138.22 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.482 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 11.6 p -122.64 4.46 9.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.0 p -148.72 144.29 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.861 HG11 HD12 ' A' ' 55' ' ' LEU . 9.8 p -141.59 156.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 54.9 m -113.6 137.07 52.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.938 HG21 ' CE1' ' A' ' 91' ' ' PHE . 64.2 t -110.64 101.37 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -94.37 164.21 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 83' ' ' LEU . . . 68.28 70.33 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.667 HD22 ' CE1' ' A' ' 89' ' ' TYR . 43.1 mt -123.56 167.54 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 76.2 t -101.92 130.53 24.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.01 141.32 26.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 74.95 45.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -153.41 150.11 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 m -79.68 149.17 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.667 ' CE1' HD22 ' A' ' 83' ' ' LEU . 11.4 m-85 -145.78 128.28 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 37.2 mt-30 -113.97 161.87 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -149.35 142.7 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -164.08 112.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.2 pt? -113.43 152.98 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 7.5 p -115.62 173.72 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 114.53 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.788 HG22 ' HG3' ' A' ' 101' ' ' LYS . 54.9 t -111.88 130.24 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 2.4 p-10 -140.43 176.57 8.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' ASN . 22.8 t70 -39.91 -58.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.616 HG23 ' CD1' ' A' ' 17' ' ' LEU . 1.8 m -40.97 -50.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.57 -134.14 3.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.788 ' HG3' HG22 ' A' ' 96' ' ' VAL . 3.2 ttmt -128.81 136.37 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -91.8 -118.48 2.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 pt20 -116.0 173.56 6.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.3 m-85 -107.81 168.67 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.9 p -89.03 141.07 28.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.86 158.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 16.2 p30 -56.96 119.91 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.88 HG22 ' HB2' ' A' ' 24' ' ' PRO . 26.9 p -62.3 155.5 24.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 mt-10 -39.16 112.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -35.0 99.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 109' ' ' GLU . 79.8 t -95.6 122.75 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 t -112.72 142.25 45.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.89 142.58 29.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.544 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 10.6 tp-100 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.35 147.66 57.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 55.4 m170 -94.25 147.76 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 162.93 24.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.49 ' CG ' ' O ' ' A' ' 93' ' ' LEU . 18.2 Cg_endo -75.03 130.62 13.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.4 mt-10 -96.19 178.08 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 39.91 52.08 4.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.564 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.754 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.01 82.7 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -95.95 125.75 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.721 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -126.08 106.93 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -126.67 152.7 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.904 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.8 mt -45.19 169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.87 -26.64 15.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p 48.49 22.28 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 32' ' ' GLU . 27.7 m -140.4 -55.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.5 tm-20 -95.02 125.89 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -55.45 126.93 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.859 ' HA ' HD21 ' A' ' 113' ' ' LEU . 5.7 mmt-85 55.92 55.17 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -141.24 148.61 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 HD21 ' A' ' 83' ' ' LEU . 79.1 mt -126.27 142.54 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.73 105.26 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.723 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -90.62 128.23 36.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -138.99 131.63 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.945 ' CE2' HD11 ' A' ' 93' ' ' LEU . 36.1 p90 -140.28 -175.31 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 m -109.69 155.91 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -80.49 112.8 34.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 176.06 10.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 48.8 t80 -83.31 158.96 22.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.557 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 4.5 p-10 -102.7 124.98 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -54.88 -31.09 54.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 171.36 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.63 155.03 38.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 135.67 19.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.701 HD13 ' OH ' ' A' ' 53' ' ' TYR . 88.6 mt -49.6 139.41 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 mt -104.71 -54.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -162.37 -178.23 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.701 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -136.59 142.17 43.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 66.4 mt -105.01 98.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 93' ' ' LEU . 1.2 tm? -87.59 107.7 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HD22 ' A' ' 55' ' ' LEU . 19.4 mt-10 -102.41 123.03 45.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 67' ' ' LEU . 57.2 ttp -100.89 146.26 27.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.99 106.93 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.624 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.3 tt0 -69.68 -167.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -54.11 100.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 56.11 22.73 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -87.01 148.79 46.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.26 32.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.33 114.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.1 t -114.72 113.84 24.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.6 100.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.72 -62.37 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -109.7 109.68 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.11 -46.9 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.72 100.74 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 70.9 t -122.82 145.57 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.92 137.72 87.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.36 9.28 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.73 -22.32 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.78 126.16 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -109.08 2.56 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.6 p -144.24 152.5 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.3 p -145.92 156.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -118.47 106.46 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.024 HG21 ' CE1' ' A' ' 91' ' ' PHE . 95.8 t -75.24 153.37 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -143.9 166.72 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.97 30.9 58.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' A' ' 113' ' ' LEU . 1.1 mp -84.34 175.53 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 72.6 t -115.42 143.19 29.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 145.56 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 57.69 50.1 11.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -147.23 140.79 25.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 m -80.0 145.27 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 36.4 m-85 -144.0 128.25 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 34.7 mt-30 -110.35 146.48 35.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.024 ' CE1' HG21 ' A' ' 80' ' ' VAL . 50.5 m-85 -128.89 146.57 50.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -168.58 105.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.0 pt? -109.05 156.18 20.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.608 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 28.7 p -121.17 174.83 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 118.75 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 101' ' ' LYS . 41.0 t -114.85 124.21 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.2 p-10 -129.43 -175.07 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -49.02 -53.2 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.624 HG23 ' CD1' ' A' ' 17' ' ' LEU . 2.0 m -45.08 -50.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.85 -134.71 3.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -128.22 137.55 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -95.18 -117.1 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.608 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 1.6 pt20 -118.92 166.81 12.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 4.7 m-85 -98.12 -176.26 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 5.1 p -98.5 149.56 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.97 157.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.421 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -62.92 105.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.754 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.0 p -47.91 145.23 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.5 tt0 -36.5 121.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.8 ttt180 -37.9 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.8 t -90.76 133.49 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.3 t -122.48 139.45 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.21 157.15 51.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.904 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 149.93 37.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.595 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.5 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' HG21 ' A' ' 99' ' ' VAL . 2.1 pt20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG23 ' A' ' 99' ' ' VAL . 53.7 mt -67.26 145.78 98.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.31 153.1 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.21 162.15 34.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.616 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -92.46 169.43 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.3 m-70 45.61 51.05 8.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -98.02 142.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.85 104.84 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -126.31 155.33 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.5 mt -77.81 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.26 115.17 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -82.87 9.57 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.51 -44.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.4 tm-20 -101.86 135.92 42.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -78.04 148.67 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 44.28 48.53 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -144.01 132.92 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' CD1' ' A' ' 83' ' ' LEU . 96.2 mt -112.88 151.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.36 118.42 32.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -113.27 137.78 50.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.19 125.54 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -125.98 177.8 6.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 61.2 m -102.01 156.55 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.63 111.65 19.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.1 10.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -82.07 126.97 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.7 p-10 -84.23 140.54 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.75 53.5 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.81 22.69 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.67 141.55 40.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.52 5.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 ' OH ' ' A' ' 53' ' ' TYR . 77.3 mt -43.27 148.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' C ' ' A' ' 97' ' ' ASN . 42.6 mt -111.95 -58.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -160.11 172.26 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 14.1 m-85 -132.64 129.65 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.86 HD12 ' HE2' ' A' ' 101' ' ' LYS . 74.9 mt -90.9 99.6 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -87.6 114.73 24.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' HD22 ' A' ' 55' ' ' LEU . 27.5 mt-10 -109.89 135.48 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.705 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 tmm? -112.25 148.32 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.594 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 45.8 t -125.61 88.97 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.591 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.0 tt0 -60.86 -152.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ALA . 13.0 m-20 -62.09 105.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.9 24.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -86.37 146.49 42.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.02 145.27 31.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.613 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 75.2 m95 -43.68 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 57' ' ' MET . 4.4 t -108.73 133.26 53.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.68 100.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.2 mt -80.92 -55.32 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.6 109.21 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.64 -69.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 100.16 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 6.0 t -114.45 152.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.72 131.75 91.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.07 12.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -93.59 14.74 17.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.67 141.45 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 1.1 p -119.94 -2.38 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.8 p -142.03 149.33 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 68' ' ' LEU . 9.9 p -141.84 157.21 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 53.6 m -114.04 130.67 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.091 HG21 ' CE1' ' A' ' 91' ' ' PHE . 41.9 t -106.4 100.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -100.46 162.17 13.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.93 56.62 5.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.0 mt -108.14 157.4 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 85' ' ' PRO . 95.8 t -86.75 141.47 33.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.94 28.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.724 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 58.67 50.04 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -147.51 141.25 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -80.49 147.4 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 83' ' ' LEU . 29.6 m-85 -144.55 130.73 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.74 170.29 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.091 ' CE1' HG21 ' A' ' 80' ' ' VAL . 72.1 m-85 -152.87 143.16 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -166.21 103.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.752 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.7 pt? -107.18 158.02 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 30.7 p -124.32 174.3 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.74 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 101' ' ' LYS . 43.0 t -122.97 122.59 66.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.58 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.9 p-10 -132.37 -177.42 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 51' ' ' ILE . 50.2 t0 -51.07 -54.41 25.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.686 HG23 HD23 ' A' ' 17' ' ' LEU . 4.4 m -44.47 -42.36 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.02 -148.0 18.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.148 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE2' HD12 ' A' ' 54' ' ' ILE . 12.3 ttmt -113.12 150.97 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -100.0 -119.02 4.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -131.99 161.89 32.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.249 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -91.59 146.47 23.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 p -71.33 155.76 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.64 165.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 3.5 p-10 -72.56 109.15 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 38' ' ' LEU . 24.8 p -54.6 150.83 8.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -38.79 119.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -38.71 114.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 26' ' ' ALA . 3.3 t -95.54 125.61 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.2 p -106.16 137.62 43.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.047 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -79.22 148.57 71.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 1.047 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.0 122.67 7.35 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 5.3 tm-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.826 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.6 tp-100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG23 ' A' ' 99' ' ' VAL . 18.9 mt -82.6 144.82 49.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.99 -178.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -119.22 157.7 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 103' ' ' GLN . . . -63.75 163.21 22.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.5 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' HIS . 3.5 mt-10 -97.38 178.25 5.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.23 54.54 3.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.831 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.99 79.8 2.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -95.96 122.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -121.26 106.0 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 146.55 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 36' ' ' ILE . 3.3 mt -65.53 170.2 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' ALA . 32.8 p -85.76 119.38 26.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.0 p -86.82 14.24 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 32' ' ' GLU . 14.6 m -137.82 -52.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.6 mm-40 -84.95 160.98 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -101.54 139.79 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 51.92 47.57 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -142.53 130.03 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.771 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.2 mt -111.25 136.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 104.24 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.82 127.2 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 p -138.91 127.34 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.684 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.1 p90 -136.47 -177.05 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -108.91 156.07 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.52 113.5 37.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.02 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.9 t80 -84.12 128.55 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 11.1 p-10 -81.54 129.27 34.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -44.68 -45.15 8.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -178.81 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -93.44 160.23 33.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.17 40.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 53' ' ' TYR . 21.7 mt -71.61 139.94 49.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.88 -53.75 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -151.41 167.52 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.698 ' CE1' HD13 ' A' ' 50' ' ' LEU . 1.6 m-85 -127.32 128.95 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 101' ' ' LYS . 60.0 mt -95.08 126.7 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD13 ' C ' ' A' ' 55' ' ' LEU . 1.2 tm? -116.95 117.88 30.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -108.22 123.03 48.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 67' ' ' LEU . 56.2 ttp -103.12 145.74 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -124.62 115.1 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.71 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 tt0 -87.77 94.0 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 30.8 m-20 62.86 -97.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 16.47 22.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -74.82 150.25 86.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 143.66 29.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 70.6 m95 -43.12 108.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 65' ' ' THR . 2.2 t -110.11 105.63 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 1.1 p -54.84 101.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 67' ' ' LEU . 9.9 mt -81.0 -50.71 9.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.822 HD13 HG21 ' A' ' 78' ' ' VAL . 1.1 mt -112.01 110.42 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.75 -60.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.91 102.04 14.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG22 HD22 ' A' ' 68' ' ' LEU . 53.2 t -118.42 153.68 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 132.28 92.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.09 20.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.774 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -101.17 7.72 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.97 142.93 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.532 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -123.58 3.0 8.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.541 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 3.1 p -146.88 156.47 43.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.822 HG21 HD13 ' A' ' 68' ' ' LEU . 5.4 p -153.17 156.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.8 m -113.18 134.97 54.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 91' ' ' PHE . 20.1 t -114.2 107.15 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.72 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 14.5 mtmt -109.8 150.21 28.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.44 10.41 36.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.771 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -67.36 157.41 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 85' ' ' PRO . 84.8 t -91.36 142.59 27.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 144.05 29.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.883 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 61.94 47.44 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -148.79 149.94 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 55.2 m-85 -144.35 131.1 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -110.2 149.41 30.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.8 m-85 -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.581 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -165.93 105.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.0 pt? -112.76 153.54 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.526 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 13.8 p -120.62 175.81 5.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 50' ' ' LEU . . . -103.19 140.56 37.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 101' ' ' LYS . 13.8 t -137.33 132.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.705 ' CG ' HG22 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -134.62 -175.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.493 ' OD1' HG13 ' A' ' 99' ' ' VAL . 5.0 p-10 -60.72 -33.75 73.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.826 HG21 ' O ' ' A' ' 16' ' ' GLN . 4.3 m -63.39 -37.43 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 152.36 -149.43 21.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.617 ' HE2' HD12 ' A' ' 54' ' ' ILE . 22.6 ttmt -119.85 153.93 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -105.2 -130.19 6.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.711 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -119.21 158.2 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 18.9 m-85 -88.6 162.05 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -82.14 155.13 25.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.86 157.48 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 2.7 p30 -59.04 109.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.831 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.4 p -52.69 150.49 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -37.81 124.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 36' ' ' ILE . 6.7 t -93.66 124.29 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -107.04 140.65 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -79.55 151.02 74.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.01 115.33 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.883 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 17' ' ' LEU . 16.5 mt -59.24 140.11 87.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -99.13 171.83 7.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -74.51 163.76 65.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 153.81 41.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.8 mt-10 -105.15 179.26 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.34 56.22 2.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.99 80.3 2.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.64 144.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -140.32 110.95 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -119.83 153.79 35.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD23 ' CG1' ' A' ' 36' ' ' ILE . 2.6 mt -75.01 170.31 16.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 75.2 m -92.55 122.53 35.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.1 p -91.33 25.48 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -150.22 -48.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 1.5 mm-40 -90.4 122.52 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -68.97 134.15 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 57.24 51.08 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -145.63 132.22 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.7 HD12 ' CD1' ' A' ' 83' ' ' LEU . 94.9 mt -114.45 141.76 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.0 m-20 -104.55 105.7 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.638 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 tp -87.98 140.72 29.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.8 p -143.62 122.35 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.4 p90 -134.14 171.43 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 m -94.47 159.09 15.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' NZ ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.89 113.39 26.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.1 152.54 40.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -64.48 153.23 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.0 p-10 -115.28 120.67 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -35.38 -49.52 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 170.47 38.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.17 155.79 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.08 118.79 5.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 33.6 mt -39.42 145.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -99.27 -55.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -164.5 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' A' ' 93' ' ' LEU . 19.8 m-85 -141.0 149.97 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.847 HD12 ' CD ' ' A' ' 101' ' ' LYS . 79.2 mt -109.64 107.91 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.97 117.71 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.76 126.95 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.992 ' HB3' HD21 ' A' ' 67' ' ' LEU . 65.8 ttp -110.71 140.85 44.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 4.7 t -125.31 100.59 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -68.24 -160.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.34 97.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 57.89 19.97 6.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -83.39 148.91 56.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.97 142.35 27.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CH2' ' HG2' ' A' ' 92' ' ' ARG . 58.1 m95 -45.63 119.76 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -119.75 111.89 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 54' ' ' ILE . 99.4 t -54.72 113.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 57' ' ' MET . 0.2 OUTLIER -86.8 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.24 110.3 21.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.83 25.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -102.64 99.56 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 68' ' ' LEU . 10.0 t -120.03 151.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 140.44 87.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -92.76 16.66 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.16 132.53 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 1.3 p -120.3 2.3 10.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -145.37 145.25 31.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 55' ' ' LEU . 7.9 p -145.24 156.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 86.0 m -110.04 136.37 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 91' ' ' PHE . 85.2 t -110.47 100.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -97.59 151.21 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.08 69.23 1.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.7 ' CD1' HD12 ' A' ' 36' ' ' ILE . 31.2 mt -119.94 157.68 28.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 37.3 t -86.41 136.53 35.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 139.73 24.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 115' ' ' GLU . . . 63.95 48.33 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -147.74 147.35 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -83.42 148.85 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.0 m-85 -145.32 125.97 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 57' ' ' MET . 39.7 mt-30 -115.02 136.12 53.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 80' ' ' VAL . 79.2 m-85 -119.45 159.61 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.632 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -178.05 116.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.4 pt? -116.31 166.1 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.4 p -128.76 175.49 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.46 129.81 45.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 69.4 t -127.13 119.76 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' ASP . 38.5 p-10 -132.96 172.06 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASN . 46.6 t0 -39.01 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 t -53.1 -64.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.91 37.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.847 ' CD ' HD12 ' A' ' 54' ' ' ILE . 5.3 ttpp -69.48 138.28 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.82 -112.67 3.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 4.2 pt20 -130.15 159.04 38.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 29.5 m-85 -98.23 156.26 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.6 p -78.86 157.93 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 1.1 mppt? -60.25 161.08 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -65.58 112.26 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 24' ' ' PRO . 55.4 p -50.79 -178.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.19 120.53 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.2 ttt180 -36.31 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.5 t -87.93 108.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -95.28 140.74 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -74.26 150.58 87.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 1.01 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.92 119.06 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.694 ' CG ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 99' ' ' VAL . 60.1 mt -69.76 148.85 96.69 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.99 -179.65 5.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -111.84 151.93 28.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 161.81 33.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.64 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.95 120.21 5.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.05 172.75 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.638 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 m-70 42.83 52.49 7.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.638 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.03 93.01 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.535 1.808 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 m -97.87 141.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.757 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.49 104.22 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -131.0 157.77 42.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.5 mt -55.69 172.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -86.34 -19.48 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p 45.24 25.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -155.92 -51.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -97.72 124.04 41.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.22 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.949 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER 53.85 46.31 26.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.764 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -140.18 139.91 35.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.626 HD11 HD23 ' A' ' 83' ' ' LEU . 51.3 mt -121.01 152.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.26 101.78 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -97.64 121.49 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -133.7 135.61 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.64 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -134.39 -174.0 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.467 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m -107.95 156.73 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 112.08 23.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.5 Cg_endo -74.91 175.8 10.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 5.2 t80 -88.98 124.62 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.8 p-10 -82.69 121.73 27.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -37.1 -63.48 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -173.95 34.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.25 154.09 29.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -43.62 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 97' ' ' ASN . 17.4 mt -114.0 -58.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -161.07 171.66 18.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.7 m-85 -133.59 128.48 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.892 HD12 ' NZ ' ' A' ' 101' ' ' LYS . 24.7 mt -91.52 103.15 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -92.41 111.79 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' HD22 ' A' ' 55' ' ' LEU . 12.2 mt-10 -104.8 128.84 53.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.534 ' HB2' HD12 ' A' ' 67' ' ' LEU . 56.8 ttp -101.12 147.86 25.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.0 t -124.25 101.01 6.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 50.5 tt0 -73.78 102.47 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 56.39 -93.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -115.35 19.48 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.13 148.9 84.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.57 29.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.479 1.779 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 65.9 m95 -43.47 111.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.3 t -109.82 118.93 37.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.55 100.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.0 mt -85.38 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.535 HD13 HG22 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -111.0 110.4 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.55 17.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.15 99.83 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 68' ' ' LEU . 11.2 t -117.86 151.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.97 130.29 91.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.12 18.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -98.98 18.51 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.86 138.53 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.2 p -115.11 -7.21 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 8.8 p -136.62 152.15 50.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 38' ' ' LEU . 5.9 p -144.4 156.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.447 HG22 ' HE2' ' A' ' 81' ' ' LYS . 87.8 m -115.8 119.23 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.805 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 41.6 t -96.51 103.59 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 18.7 mtmt -108.81 149.21 29.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.88 25.56 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -88.92 162.49 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.73 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.9 t -94.47 143.4 26.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.73 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.0 146.7 32.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 61.74 50.99 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -155.29 145.12 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 m -83.93 148.2 27.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 26.7 m-85 -145.63 129.46 17.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 47.1 mt-30 -108.33 163.08 13.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.805 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 14.0 m-85 -145.26 147.06 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -166.34 111.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.644 ' H ' HD23 ' A' ' 93' ' ' LEU . 1.8 pt? -116.9 156.38 27.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.618 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.9 p -121.32 174.36 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.33 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.62 HG22 ' HG3' ' A' ' 101' ' ' LYS . 45.9 t -125.42 123.86 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.568 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.6 p30 -131.42 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -53.99 -53.25 55.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.681 HG23 HD23 ' A' ' 17' ' ' LEU . 4.0 m -45.02 -42.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 156.37 -147.19 15.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.892 ' NZ ' HD12 ' A' ' 54' ' ' ILE . 1.1 ttmm -113.59 148.54 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.15 -110.2 2.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.792 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 2.9 pt20 -144.65 162.82 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 22.5 m-85 -93.14 156.89 16.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -82.5 146.62 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -46.28 167.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -74.19 113.75 11.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.846 HG21 HD21 ' A' ' 38' ' ' LEU . 11.3 p -47.57 174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -66.13 128.7 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.8 ttt180 -36.42 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.6 t -88.4 118.62 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -105.14 139.82 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.949 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -91.25 157.53 42.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.805 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 143.52 29.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.0 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.528 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.8 mt -81.49 148.22 61.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.64 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 165.31 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.16 162.33 40.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 159.82 40.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -110.95 179.42 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 36.27 55.68 2.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.628 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.94 77.17 3.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.67 137.94 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.683 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -134.98 120.36 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -138.03 145.87 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 HG12 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -53.87 165.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.1 116.97 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 60.7 p -84.42 37.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 30' ' ' THR . 32.5 m -157.23 -45.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.76 139.54 38.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -85.57 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.676 ' HA ' HD21 ' A' ' 113' ' ' LEU . 43.2 mtm180 57.5 32.65 22.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -132.92 141.15 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 ' HE2' ' A' ' 91' ' ' PHE . 82.0 mt -113.55 141.73 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -102.55 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -100.13 135.12 42.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -141.23 125.03 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 1.003 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.4 p90 -138.17 169.81 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 m -100.19 155.81 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 112.83 33.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -82.38 125.81 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.6 p-10 -80.75 142.15 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.528 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -76.2 54.36 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.6 m120 60.81 35.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' N ' ' OD2' ' A' ' 45' ' ' ASP . 2.3 t -148.02 142.67 16.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.01 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.55 150.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.03 -48.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -163.11 -175.97 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.875 ' CD2' HD12 ' A' ' 93' ' ' LEU . 5.5 m-85 -138.2 128.0 25.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.901 HD12 ' HE2' ' A' ' 101' ' ' LYS . 57.9 mt -96.62 103.73 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD22 HG11 ' A' ' 78' ' ' VAL . 4.4 tp -92.44 126.39 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.87 ' OE2' HG22 ' A' ' 66' ' ' VAL . 6.7 mp0 -116.59 135.18 54.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.683 ' O ' HG22 ' A' ' 65' ' ' THR . 12.2 tmm? -112.05 142.87 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -125.07 99.14 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 tt0 -86.37 128.81 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 52.84 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLU . 6.7 m-20 -130.32 22.79 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 150.24 89.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.77 32.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.5 m95 -42.82 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 57' ' ' MET . 8.9 t -105.69 128.93 53.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.87 HG22 ' OE2' ' A' ' 56' ' ' GLU . 16.0 t -66.77 98.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 57' ' ' MET . 9.9 mt -75.31 -57.01 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -121.62 110.06 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.03 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.2 p -84.98 100.94 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 68' ' ' LEU . 66.7 t -124.62 148.49 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.09 137.83 89.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -34.88 3.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.01 -5.65 47.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.95 131.2 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -112.76 -1.69 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.4 p -138.72 157.26 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG11 HD22 ' A' ' 55' ' ' LEU . 5.1 p -152.19 154.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 93.0 m -118.87 127.8 53.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 ' CE1' ' A' ' 91' ' ' PHE . 58.7 t -100.63 104.92 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -96.2 138.5 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.04 75.3 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.657 ' CD1' HD12 ' A' ' 36' ' ' ILE . 77.4 mt -129.99 163.14 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.2 t -92.48 138.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.99 152.54 40.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 56.24 54.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -154.74 144.1 21.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.5 m -80.27 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CE1' HD22 ' A' ' 83' ' ' LEU . 22.8 m-85 -144.75 128.61 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 35.8 mt-30 -108.09 165.63 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE1' HG21 ' A' ' 80' ' ' VAL . 60.0 m-85 -152.6 142.39 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.86 109.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.003 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -109.42 154.53 22.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 9.4 p -118.94 175.4 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.42 124.19 47.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.846 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.9 t -123.94 120.42 59.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -128.03 179.55 5.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' VAL . 1.3 p30 -50.83 -39.27 52.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.403 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 4.8 t -59.76 -40.05 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.3 -155.58 26.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.901 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.7 ttmt -111.98 140.68 46.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -93.07 -115.75 2.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -124.31 172.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.429 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 5.8 m-85 -104.85 149.58 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 p -68.56 158.97 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.11 158.59 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 12.7 p30 -61.54 112.02 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 91' ' ' PHE . 33.5 p -50.45 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.3 tt0 -71.65 120.6 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.6 ttm-85 -35.97 102.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 26' ' ' ALA . 21.6 t -88.5 106.93 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -94.76 138.61 32.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -93.87 140.78 23.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.5 25.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -68.08 148.39 98.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.95 141.25 26.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 43' ' ' PRO . 64.1 m170 -62.66 148.81 45.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.545 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.41 165.09 15.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 139.88 24.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.7 mt-10 -98.04 175.54 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.6 p-80 34.88 55.17 1.95 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.05 79.04 2.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -95.94 140.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -128.31 109.07 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -106.14 152.59 23.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -62.61 -179.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 m -118.37 73.22 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.5 p -45.7 -25.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -87.67 -61.06 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -68.29 143.95 55.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.963 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.4 mtp180 50.13 49.58 20.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 80' ' ' VAL . . . -144.66 148.94 34.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.493 HG12 HD23 ' A' ' 28' ' ' LEU . 37.9 mt -126.89 124.48 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' THR . 3.8 m-20 -83.75 106.89 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -85.04 132.74 34.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -136.69 132.02 34.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.65 ' CE2' HD11 ' A' ' 93' ' ' LEU . 43.9 p90 -146.23 -179.89 7.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.434 ' OG1' ' CE1' ' A' ' 23' ' ' HIS . 1.8 m -109.44 154.42 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -80.83 113.49 40.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.03 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.5 t80 -81.38 128.8 34.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.5 p-10 -75.72 128.04 34.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -45.73 -76.36 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.47 24.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.12 161.72 28.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.38 42.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.6 mt -70.91 151.18 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 97' ' ' ASN . 35.4 mt -116.18 -62.44 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 9.6 ptp180 -152.56 175.62 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.3 m-85 -136.89 125.12 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HE2' ' A' ' 101' ' ' LYS . 9.4 mt -91.76 103.32 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -92.2 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -101.98 125.82 48.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 65' ' ' THR . 55.9 ttp -102.82 142.34 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.2 t -125.19 107.94 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -77.59 -165.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 101.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.97 22.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.532 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -85.12 150.83 55.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.52 30.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.665 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 53.4 m95 -44.1 111.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 57' ' ' MET . 10.0 t -110.38 101.77 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 100.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD11 ' SD ' ' A' ' 57' ' ' MET . 10.0 mt -80.51 -52.63 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -112.93 109.76 19.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.16 -35.71 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -108.83 100.47 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.047 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 39.0 t -118.45 153.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -67.98 138.09 92.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -31.4 6.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.25 22.0 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -110.24 139.55 45.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 44.1 p -124.21 0.52 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -143.73 142.89 31.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -138.96 154.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 m -116.92 115.86 26.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 95.2 t -87.41 149.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -140.98 173.85 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.96 20.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 22.3 mt -109.7 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 85' ' ' PRO . 74.8 t -112.67 139.6 22.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.5 Cg_endo -75.0 145.3 31.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 60.4 50.36 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -150.17 144.1 25.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.4 m -80.21 150.46 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.8 m-85 -145.97 126.18 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -108.42 158.97 17.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.636 ' CD2' HD23 ' A' ' 38' ' ' LEU . 16.8 m-85 -142.77 147.83 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.665 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.01 104.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -110.96 152.36 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.6 p -117.67 174.29 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . . . -102.17 120.9 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 101' ' ' LYS . 87.7 t -118.09 132.01 69.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.559 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.7 p-10 -141.08 -175.15 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 62.5 t0 -50.47 -52.34 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 17' ' ' LEU . 1.5 m -43.7 -51.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 160.15 -133.71 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE2' HD12 ' A' ' 54' ' ' ILE . 15.6 ttmt -129.78 135.23 48.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -94.12 -129.32 5.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.34 170.83 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 43.7 m-85 -100.09 179.81 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -99.33 153.55 18.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -49.18 163.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.06 113.74 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 24' ' ' PRO . 16.8 p -50.8 145.74 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.4 tt0 -48.05 128.64 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -37.26 103.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 109' ' ' GLU . 67.0 t -95.3 120.44 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p -106.27 142.51 35.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.72 156.77 49.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.561 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 134.84 18.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.711 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -176.8 -57.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -50.16 144.5 7.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.89 153.01 22.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.84 163.6 38.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -137.94 -59.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.54 -117.46 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.113 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 -57.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.45 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.37 110.23 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -177.73 122.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.95 172.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -46.96 154.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 5.2 p -92.11 125.16 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.679 ' CD ' HG22 ' A' ' 99' ' ' VAL . 1.4 mtt180 -81.91 95.01 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.89 155.36 18.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 19.8 mt -92.33 139.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.99 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.711 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.73 167.2 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -63.54 162.4 27.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 155.13 42.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -108.81 -178.59 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.602 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.88 54.13 3.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.86 139.52 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -132.12 115.48 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.95 151.38 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -60.26 173.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -104.11 96.62 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -70.32 58.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -178.01 -49.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.36 124.0 44.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -71.83 137.32 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.961 ' HA ' HD21 ' A' ' 113' ' ' LEU . 79.7 mtt180 61.33 45.79 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -146.08 139.13 25.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.607 HD13 HG11 ' A' ' 111' ' ' VAL . 65.3 mt -121.27 137.51 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -93.78 107.24 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.718 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -87.08 133.28 33.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 p -136.43 130.57 32.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.841 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.1 p90 -140.82 175.48 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 20.3 m -100.59 158.4 15.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -76.78 113.24 27.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 161.39 38.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.1 t80 -64.27 104.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.1 -64.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ASN . . . 108.79 58.89 0.54 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 0.8 OUTLIER 69.54 -53.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.274 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -91.63 150.24 40.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.77 41.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD13 ' OH ' ' A' ' 53' ' ' TYR . 9.6 mt -70.24 169.74 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -124.66 -55.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -157.94 175.8 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.66 ' OH ' HD13 ' A' ' 50' ' ' LEU . 12.4 m-85 -130.12 151.0 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 101' ' ' LYS . 42.4 mt -118.1 98.25 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -90.57 109.47 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HD22 ' A' ' 55' ' ' LEU . 14.0 mt-10 -102.23 130.04 48.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 59.5 ttp -101.25 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 t -124.83 101.33 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.642 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 tt0 -68.33 -167.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -55.09 96.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.01 27.08 15.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.46 148.2 38.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.35 31.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.3 m95 -47.92 114.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -114.25 117.1 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.23 101.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.9 mt -86.74 -63.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD22 HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.19 110.22 21.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.84 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -89.72 99.98 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 HD22 ' A' ' 68' ' ' LEU . 3.6 t -122.29 148.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.09 130.24 91.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.618 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.6 Cg_endo -74.94 -23.05 14.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -82.85 -8.42 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 140.48 29.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -118.41 1.71 11.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.8 p -144.17 147.09 33.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.9 p -141.89 156.56 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.0 m -116.48 120.78 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.3 t -92.27 107.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -98.17 156.47 16.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.17 76.79 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 95.2 mt -129.55 164.99 22.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.769 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 87' ' ' ARG . 9.9 t -91.85 132.59 32.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.491 ' CG ' ' OG ' ' A' ' 116' ' ' SER . 18.3 Cg_endo -75.02 142.88 28.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 66.05 46.41 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CD ' HG11 ' A' ' 84' ' ' VAL . 31.4 mtt180 -147.73 147.12 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -80.33 146.6 31.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 17.1 m-85 -144.29 129.0 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.49 151.88 27.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.915 ' CE1' HG21 ' A' ' 80' ' ' VAL . 11.0 m-85 -133.93 145.57 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.46 107.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -113.31 150.12 32.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLN . 20.7 p -114.63 175.34 5.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -105.58 127.77 53.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.9 t -121.19 129.99 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 49.4 p-10 -135.95 173.79 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -44.78 -47.07 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG22 ' CD ' ' A' ' 15' ' ' ARG . 24.3 t -52.51 -54.07 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 165.88 -159.74 33.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.8 ttmt -107.75 132.58 53.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.15 -111.0 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.767 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 3.9 pm0 -137.03 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 7.5 m-85 -98.02 150.29 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 163.17 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 160.97 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' PRO . 15.7 p -47.78 144.66 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -38.07 127.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.92 99.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 109' ' ' GLU . 16.1 t -92.7 130.87 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -120.87 140.78 51.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.78 156.29 55.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.767 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tt0 -66.39 141.91 57.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' A' ' 85' ' ' PRO . 69.5 p -124.89 116.84 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.74 -158.12 24.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.63 41.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.86 116.98 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -111.04 119.65 39.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.006 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.56 170.99 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -148.31 126.01 11.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.38 -85.86 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 62.15 110.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.974 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.67 145.12 38.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.84 -72.71 1.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.06 165.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -106.58 146.88 30.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.18 162.35 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.31 -172.55 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.544 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt 60.08 -177.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.06 112.03 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 p -100.15 126.72 53.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -84.71 94.14 8.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -105.39 178.56 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LEU . 22.1 mt -85.15 140.2 36.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 161.85 38.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 165.41 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.54 163.88 30.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 164.05 34.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -117.82 179.23 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 37.87 54.52 3.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.98 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.7 t -97.13 132.2 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.11 107.42 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -129.12 158.77 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.917 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.7 mt -47.29 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -28.88 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p 52.09 29.74 6.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 32' ' ' GLU . 34.3 m -150.56 -54.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.548 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.72 121.21 34.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -52.7 127.41 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.946 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.1 mmp_? 54.67 51.26 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -135.97 156.98 47.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' THR . 51.3 mt -132.82 147.82 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -95.02 103.31 15.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.706 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -86.73 128.17 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -139.29 125.89 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.6 p90 -139.2 168.82 18.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 m -93.86 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.71 112.31 23.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.94 176.13 10.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.626 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -86.36 127.68 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.626 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.3 p-10 -89.21 154.44 20.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -79.75 59.79 4.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 76.08 -45.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -89.47 151.07 45.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.69 14.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -51.16 153.13 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.58 -53.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -154.93 -178.42 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.638 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.8 m-85 -135.85 133.3 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.99 HD12 ' HE2' ' A' ' 101' ' ' LYS . 41.5 mt -96.82 100.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 93' ' ' LEU . 1.9 tp -89.3 118.76 29.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -110.62 124.26 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.7 ttp -100.86 136.58 40.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.7 t -124.9 101.07 6.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.652 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 tt0 -62.04 -147.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -71.43 96.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.66 12.14 7.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.652 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -73.76 146.87 86.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 146.89 32.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.6 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.5 m95 -48.92 112.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -112.39 115.27 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.07 101.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 67' ' ' LEU . 7.6 mt -85.22 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.26 110.24 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.04 17.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.56 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.7 t -125.76 152.81 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 135.8 88.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.05 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -88.52 11.1 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.85 136.32 43.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 74.6 p -120.53 0.71 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -139.91 151.91 45.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.706 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -154.25 154.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 32' ' ' GLU . 3.7 m -115.76 106.02 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 91' ' ' PHE . 92.8 t -73.45 150.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 14.4 mttm -135.7 -178.79 5.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.16 60.34 8.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 89' ' ' TYR . 87.8 mt -114.8 171.57 7.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.6 t -107.98 143.06 26.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 153.12 41.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 49.18 58.7 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -153.6 143.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.7 m -79.94 152.36 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.1 m-85 -145.94 142.7 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 20.1 mt-30 -130.52 127.21 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.986 ' CE1' HG21 ' A' ' 80' ' ' VAL . 45.4 m-85 -113.48 152.64 29.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.6 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -170.33 108.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.861 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.06 158.19 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.523 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 22.6 p -121.86 175.02 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.29 122.11 44.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.826 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.3 t -118.01 130.33 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' GLY . 47.3 p-10 -137.5 166.72 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -39.64 -48.48 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 99' ' ' VAL . 17.1 t -50.62 -50.39 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 161.02 -162.8 33.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.99 ' HE2' HD12 ' A' ' 54' ' ' ILE . 1.8 ttmt -105.33 143.97 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -95.5 -112.41 2.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -132.31 167.95 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 4.7 m-85 -100.97 153.53 19.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -70.27 162.52 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.56 158.84 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -59.59 112.38 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.906 HG22 ' HB2' ' A' ' 24' ' ' PRO . 43.9 p -53.22 160.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' VAL . 2.1 mt-10 -49.14 116.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 5.6 ttp180 -37.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 36' ' ' ILE . 5.2 p -92.07 124.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -107.11 143.75 34.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.946 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.76 156.91 47.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.917 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 146.89 33.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 7.0 tt0 -63.05 147.83 49.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -167.93 127.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 71.92 -178.58 36.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -48.45 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.6 t 48.93 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.52 125.33 31.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m 59.85 91.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.943 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -50.71 166.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 164.22 23.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -89.22 -57.22 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.51 -55.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.33 85.21 1.84 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.48 159.39 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -119.43 90.5 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.51 -62.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -57.54 154.75 10.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.68 108.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 106.93 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p -110.59 127.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -76.23 87.89 3.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.768 ' C ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -101.59 171.77 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HG11 ' A' ' 99' ' ' VAL . 28.7 mt -57.65 141.64 79.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.67 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.7 158.74 25.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.754 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -67.73 164.83 36.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.59 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.99 140.96 26.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 170.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.5 m-70 47.47 50.36 8.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 106.45 2.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.551 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -114.05 152.05 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . . . -145.91 105.63 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 146.61 47.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.881 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.2 mt -48.85 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -102.55 93.97 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 p -74.87 55.89 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.68 -42.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -108.45 115.18 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -64.6 144.46 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.821 ' HA ' HD21 ' A' ' 113' ' ' LEU . 53.6 mtt180 57.76 34.79 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.61 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -133.95 161.41 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.68 HD12 ' CD2' ' A' ' 83' ' ' LEU . 90.1 mt -139.91 143.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.53 128.9 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 108' ' ' THR . 3.8 tp -123.56 137.34 54.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.5 127.37 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.834 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 41.3 p90 -130.24 178.43 6.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -101.65 156.52 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 111.29 16.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.6 t80 -98.54 125.27 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 50' ' ' LEU . 14.5 t0 -88.75 143.63 26.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.81 -67.25 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -170.77 32.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -143.68 157.67 58.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 123.31 7.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 45' ' ' ASP . 62.6 mt -43.33 146.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.7 mt -100.99 -57.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NH1' HG11 ' A' ' 96' ' ' VAL . 6.0 ptp85 -161.36 -178.41 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.5 m-85 -135.09 134.12 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CD ' ' A' ' 101' ' ' LYS . 63.2 mt -98.57 105.66 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.32 122.33 33.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -116.9 126.11 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.596 ' HB2' HD12 ' A' ' 67' ' ' LEU . 57.9 ttp -101.14 141.7 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 9.1 t -124.56 99.08 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.598 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.2 tt0 -62.63 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.29 92.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.18 18.77 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -82.04 148.41 60.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.04 144.56 30.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 66.1 m95 -49.4 108.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -107.49 119.01 38.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.84 100.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.5 mt -85.59 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.76 110.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.04 -35.84 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 100.62 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.4 149.46 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 136.13 87.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' NZ ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.99 -22.69 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' NZ ' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -91.1 9.51 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 129.86 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -112.38 -5.41 14.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 7.0 p -137.34 148.1 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.55 150.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 76.4 m -118.87 111.67 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 91' ' ' PHE . 12.0 t -81.85 149.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 10.9 mtmt -144.29 150.83 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.29 17.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.68 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.6 mp -81.6 157.74 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.23 132.82 29.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 115' ' ' GLU . . . 74.74 46.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -158.19 146.08 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 m -81.64 152.48 27.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 24.6 m-85 -145.47 136.3 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 79.2 mt-30 -123.71 127.95 48.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.2 m-85 -110.59 155.22 22.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -179.23 114.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.834 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.2 pt? -110.88 169.29 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 2.9 p -129.03 175.18 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.305 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.69 120.95 41.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG11 ' NH1' ' A' ' 52' ' ' ARG . 50.8 t -116.26 129.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 45' ' ' ASP . 44.5 p-10 -141.5 169.33 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 51' ' ' ILE . 13.3 t70 -40.65 -37.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.768 HG11 ' C ' ' A' ' 16' ' ' GLN . 37.8 t -58.09 -55.46 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.58 179.43 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.641 ' CD ' HD12 ' A' ' 54' ' ' ILE . 9.8 ttpp -68.86 141.77 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.11 -105.79 2.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.754 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -137.32 161.46 36.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.05 145.27 27.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -71.22 145.71 49.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.86 163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.521 ' OD1' ' CZ2' ' A' ' 64' ' ' TRP . 56.7 m-20 -79.29 109.69 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 HD11 ' A' ' 38' ' ' LEU . 32.3 p -44.52 154.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 mt-10 -43.77 130.01 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLU . 4.4 ttm-85 -38.04 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 109' ' ' GLU . 32.4 t -97.58 121.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -108.93 142.83 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.61 140.19 22.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.881 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.97 117.02 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.7 OUTLIER -37.56 153.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -100.44 138.18 37.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 58.33 158.21 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 66.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 t -139.5 118.5 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.7 m -95.73 89.79 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -144.14 -58.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 0.781 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -92.2 149.29 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 173.42 22.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -135.23 150.11 50.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -91.28 146.6 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.67 135.46 19.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -137.77 -57.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -114.86 100.79 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.97 161.12 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -75.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.0 mm? -103.31 -63.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.49 154.35 36.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG1' ' NE2' ' A' ' 16' ' ' GLN . 2.9 p -107.41 122.66 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.673 ' CG ' HG12 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.2 93.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' CG1' ' A' ' 14' ' ' VAL . 1.3 tp-100 -92.33 155.63 17.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 101' ' ' LYS . 90.9 mt -77.36 145.93 73.21 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.03 150.29 37.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.74 156.78 24.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.57 164.1 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 129.9 12.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -88.64 179.78 6.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.96 54.56 2.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 79.36 2.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -96.72 136.01 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.84 106.06 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.32 149.98 40.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -72.84 164.65 26.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.6 122.38 33.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.8 p -89.17 27.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 32' ' ' GLU . 24.4 m -146.07 -47.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -97.81 121.56 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -66.54 147.12 53.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 46.5 57.35 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -152.91 127.82 9.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.9 mt -110.69 140.28 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.53 103.65 15.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -87.42 133.31 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.5 p -145.28 126.3 14.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.956 ' CE2' HD11 ' A' ' 93' ' ' LEU . 29.9 p90 -133.23 179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -103.46 156.15 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 112.49 27.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 176.23 10.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 4.2 t80 -89.81 125.4 35.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.3 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.73 -63.62 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -171.34 32.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -154.89 154.89 29.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.53 11.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 ' HE1' ' A' ' 53' ' ' TYR . 83.9 mt -43.91 155.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 97' ' ' ASN . 16.9 mt -116.09 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -158.15 177.85 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.897 ' CD2' HD12 ' A' ' 93' ' ' LEU . 3.5 m-85 -132.81 134.91 45.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.561 HD12 ' CD ' ' A' ' 101' ' ' LYS . 28.3 mt -103.94 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.05 124.62 32.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 66' ' ' VAL . 1.8 mm-40 -112.68 120.58 42.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 36.1 ttp -102.29 139.52 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -124.73 114.39 19.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.5 tt0 -76.56 -146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -72.9 97.81 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.03 14.95 4.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.47 149.0 83.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.81 29.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 73.8 m95 -43.9 115.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -117.37 110.13 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 54.9 t -55.03 101.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.72 -61.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 71' ' ' VAL . 1.2 mt -109.18 114.21 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.0 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.81 102.45 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 68' ' ' LEU . 23.5 t -123.21 152.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 134.27 89.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.91 12.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.807 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -90.97 19.21 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.26 137.29 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.7 p -119.22 -0.08 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 10.5 p -142.03 150.54 41.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.5 p -147.98 156.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.431 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 33.9 m -113.75 132.28 55.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 54.3 t -109.89 100.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 79' ' ' THR . 7.2 mttp -105.77 143.13 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.89 -8.59 16.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -53.71 158.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 85' ' ' PRO . 81.2 t -100.28 142.94 25.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 140.55 25.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 71.82 46.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 37.6 mtt180 -151.26 146.95 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -89.59 145.94 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.595 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 74.0 m-85 -145.1 146.12 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.572 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 23.9 mt-30 -123.06 166.51 15.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 16.8 m-85 -149.79 145.73 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -170.64 104.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.956 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -100.57 168.0 9.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 15.7 p -134.14 174.12 10.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -102.36 134.99 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 55.4 t -134.87 131.22 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -139.01 -174.27 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.585 ' OD1' HG13 ' A' ' 99' ' ' VAL . 17.6 p-10 -53.04 -50.59 63.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.757 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -46.4 -51.44 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 153.26 -170.69 32.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.762 ' O ' HD22 ' A' ' 17' ' ' LEU . 3.5 ttpt -74.23 153.18 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.14 -101.06 2.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.723 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 8.8 pt20 -150.66 152.64 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 33.9 m-85 -87.05 172.46 9.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -98.19 162.93 12.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 163.58 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -68.55 113.45 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.5 p -53.9 146.96 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.7 tt0 -36.79 123.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.28 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' GLU . 39.1 t -89.51 116.74 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.09 150.06 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.977 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -84.89 151.43 57.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.977 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 2.6 tt0 -37.07 -40.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.9 t 68.55 -68.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' GLU . . . -93.76 173.26 33.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -155.07 93.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -61.54 146.76 47.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.12 102.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -117.04 97.97 6.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 86.76 0.08 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -53.25 -58.33 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -156.07 -58.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.055 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -129.28 5.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.51 133.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -84.34 134.33 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.87 111.84 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.44 -59.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.581 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.44 83.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -55.75 94.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -118.2 132.19 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.563 ' HD2' HG12 ' A' ' 99' ' ' VAL . 5.1 mtm-85 -70.99 95.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 10.3 pt20 -123.97 173.08 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 99' ' ' VAL . 33.8 mt -69.23 147.62 97.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.4 Cg_endo -74.92 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -123.6 158.09 32.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 104' ' ' PHE . . . -64.29 161.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.1 Cg_endo -74.99 119.99 5.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -82.28 172.47 13.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 43.8 51.77 8.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.02 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -108.21 151.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.51 105.84 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.3 156.61 36.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.827 HD11 ' HD3' ' A' ' 114' ' ' PRO . 2.3 mt -61.04 165.02 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 101.64 12.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p -74.58 -0.75 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -109.56 -35.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.5 mm-40 -116.31 138.71 51.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -83.86 141.37 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.975 ' HA ' HD21 ' A' ' 113' ' ' LEU . 2.0 mtp180 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -120.5 167.17 12.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.609 HG21 ' HE2' ' A' ' 91' ' ' PHE . 88.7 mt -140.44 139.3 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.62 134.16 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 108' ' ' THR . 2.1 tp -127.62 136.39 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -141.47 126.09 17.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.2 p90 -125.94 174.25 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 107.981 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -97.78 156.89 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.95 112.39 24.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -75.01 175.71 10.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.7 t80 -80.88 126.76 31.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.554 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 4.2 p-10 -81.06 137.5 36.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.83 53.74 4.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.17 17.58 8.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -128.8 145.54 56.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -43.76 139.1 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 97' ' ' ASN . 10.5 mm -96.28 -59.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -162.17 -165.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -146.4 124.73 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.757 HG22 ' OE2' ' A' ' 56' ' ' GLU . 27.6 mt -92.37 103.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.39 121.98 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' OE2' HG22 ' A' ' 54' ' ' ILE . 1.6 mp0 -113.57 121.8 45.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 58' ' ' SER . 51.4 ttp -100.88 148.07 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.5 t -124.46 112.5 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.67 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 3.4 tt0 -78.5 97.75 5.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 55.11 -94.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.99 37.44 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -97.87 150.8 37.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.49 30.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 63.6 m95 -43.31 110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.8 114.13 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 70.4 t -55.47 101.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.4 -61.59 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -108.34 110.52 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' ARG . . . -90.63 -26.03 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.69 100.44 7.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 42.5 t -123.81 151.6 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.39 137.49 86.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.74 11.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.59 22.81 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.38 133.9 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -115.91 -2.24 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.6 p -139.67 150.18 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.57 157.1 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 38.6 m -124.92 121.99 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 ' CE1' ' A' ' 91' ' ' PHE . 39.6 t -93.47 141.29 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -134.33 150.64 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 30.54 7.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.599 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -86.03 -177.92 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 85' ' ' PRO . 86.3 t -119.63 141.8 31.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 140.72 25.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.752 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 67.84 47.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -152.02 140.55 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 m -81.83 148.69 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -145.33 131.09 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 57' ' ' MET . 43.7 mt-30 -109.24 153.99 23.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.863 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -139.23 141.84 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.0 113.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -112.27 164.56 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.555 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 9.3 p -128.85 172.54 11.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.18 124.79 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG22 ' HG3' ' A' ' 101' ' ' LYS . 32.7 t -125.38 127.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.542 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -133.6 -177.17 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.4 t70 -52.73 -52.51 56.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.613 HG23 HD23 ' A' ' 17' ' ' LEU . 7.4 m -44.75 -46.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 161.09 -152.71 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -103.96 151.47 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -109.67 -159.6 18.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.99 171.28 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 6.8 m-85 -106.51 175.22 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.7 p -101.21 149.57 23.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -54.36 159.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.407 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 3.1 p-10 -69.4 112.98 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.763 HG21 HD11 ' A' ' 38' ' ' LEU . 21.2 p -47.1 174.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -65.08 125.78 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.6 ttt180 -34.18 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 109' ' ' GLU . 51.9 t -87.86 118.35 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.1 p -107.19 142.34 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.975 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -90.74 156.13 45.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.827 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.04 138.4 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.752 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 6.0 tt0 -61.35 160.43 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.1 t -133.16 98.93 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -160.71 174.66 37.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.1 40.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 t -113.93 93.24 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -78.66 100.86 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.11 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.02 135.35 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.17 179.56 28.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -133.21 135.55 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.67 120.4 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.35 172.87 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.35 165.98 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -89.48 131.94 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.31 159.06 44.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -81.74 -59.1 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.2 156.29 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 ' NE2' ' A' ' 16' ' ' GLN . 2.4 p -105.3 135.68 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.522 ' HD2' HG22 ' A' ' 99' ' ' VAL . 8.0 mtm180 -91.35 93.5 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -92.99 164.69 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 15.1 mt -92.13 143.05 26.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.94 128.17 11.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 164.17 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -64.81 165.02 16.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.1 mm-40 -102.46 177.82 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.589 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 36.96 55.19 3.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.93 79.72 2.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.1 t -97.95 147.44 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -141.73 124.53 16.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 141.66 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -47.88 172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -101.57 -18.23 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.5 p 45.78 25.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -141.14 -58.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.608 ' N ' HG12 ' A' ' 31' ' ' VAL . 3.8 mm-40 -81.62 138.14 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 16.4 mmt180 -56.85 128.93 39.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 1.001 ' HA ' HD21 ' A' ' 113' ' ' LEU . 4.2 mpp_? 37.43 56.78 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -130.35 141.35 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 91' ' ' PHE . 85.6 mt -117.35 145.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.69 114.53 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.658 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tp -100.1 145.65 27.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -149.71 123.74 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.874 ' CE2' HD11 ' A' ' 93' ' ' LEU . 47.5 p90 -133.18 174.07 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -102.19 155.95 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -79.39 113.4 36.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 175.39 11.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.3 t80 -85.48 128.86 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.8 p-10 -78.78 133.84 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.6 -33.73 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 167.99 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.97 160.58 32.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.76 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.765 HD13 ' OH ' ' A' ' 53' ' ' TYR . 75.4 mt -41.11 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' ASP . 17.1 mm -115.51 -60.38 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -158.35 -178.39 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.765 ' OH ' HD13 ' A' ' 50' ' ' LEU . 19.4 m-85 -137.06 138.08 40.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 28.0 mt -103.2 99.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.799 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.66 117.25 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 11.1 mt-10 -110.3 128.85 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 49.8 ttp -104.12 147.22 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.2 t -122.41 107.41 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.653 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 25.0 tt0 -75.46 96.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 56.29 -92.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -113.41 33.93 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -94.11 148.62 35.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.55 31.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 61.2 m95 -43.61 108.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -108.47 116.63 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.5 t -54.92 100.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HG13 ' A' ' 80' ' ' VAL . 12.9 tp -87.9 -57.77 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.83 109.98 19.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.98 -55.51 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.1 147.17 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 135.36 88.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.19 10.2 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -84.89 0.1 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.47 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.46 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 2.6 p -117.04 2.4 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p -145.02 150.25 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.799 HG11 HD12 ' A' ' 55' ' ' LEU . 4.0 p -145.86 156.02 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.7 m -123.69 110.56 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 91' ' ' PHE . 75.3 t -79.14 150.49 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 5.8 mttp -144.47 143.43 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 20.8 10.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -79.28 -178.61 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.747 HG13 ' HD2' ' A' ' 85' ' ' PRO . 57.3 t -123.45 143.96 42.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.747 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 145.02 30.9 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 64.63 50.09 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -154.03 142.36 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -83.21 146.79 28.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.562 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 44.2 m-85 -144.65 129.54 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 21.0 mt-30 -108.74 157.53 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.678 ' HE2' HG21 ' A' ' 36' ' ' ILE . 56.7 m-85 -143.13 143.04 31.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.08 109.01 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.8 pt? -107.3 160.85 15.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.5 p -122.63 174.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.05 121.26 44.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.717 HG22 ' HG2' ' A' ' 101' ' ' LYS . 12.0 t -120.29 134.93 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.3 p-10 -133.76 -171.92 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 51' ' ' ILE . 21.1 t0 -64.06 -24.06 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' HD2' ' A' ' 15' ' ' ARG . 31.6 t -69.52 -59.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.92 -169.05 40.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.717 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -87.39 118.97 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.447 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . . . -66.72 -119.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.607 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.4 pt20 -143.07 157.18 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -84.71 159.25 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -87.12 165.03 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -58.34 159.08 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -64.3 109.42 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' PRO . 10.8 p -52.35 152.57 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -46.16 114.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 109' ' ' GLU . 10.7 ttm-85 -34.83 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' GLU . 23.5 t -88.82 108.48 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -94.54 141.55 28.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.001 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -92.83 140.99 23.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.03 152.62 40.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.8 128.29 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 m -109.8 -69.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.04 162.1 14.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.55 6.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 t -64.73 -59.31 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 m -86.0 109.57 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -138.58 166.12 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -96.27 154.21 17.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.38 174.8 27.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -134.2 -60.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -98.18 146.24 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.19 -161.26 11.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 58.62 100.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -157.32 105.94 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.12 139.83 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -48.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.623 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.2 mt -143.49 173.5 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -38.8 119.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.27 124.48 58.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' HG22 ' A' ' 99' ' ' VAL . 5.0 mtt-85 -80.58 90.8 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -93.65 165.42 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 14.2 mt -75.25 137.78 71.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 164.42 9.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.36 164.76 17.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 143.82 29.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.4 mt-10 -99.7 179.66 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.575 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 35.76 55.45 2.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 134.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.42 113.84 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -123.48 152.34 41.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -55.03 -178.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.1 t -109.65 97.06 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p -76.34 54.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.14 -43.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.35 165.57 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -108.62 126.94 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.851 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER 63.8 51.19 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -149.52 157.85 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 27' ' ' THR . 23.6 mt -133.67 142.37 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.96 109.8 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.723 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.99 134.38 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.5 p -141.72 125.87 17.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.918 ' CE2' HD11 ' A' ' 93' ' ' LEU . 39.7 p90 -137.38 179.02 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.4 m -104.68 156.12 18.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -79.3 112.4 28.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.06 176.23 10.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.786 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' ' OE1' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -72.28 98.59 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' PHE . 8.6 p-10 -39.79 -44.47 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.527 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . 115.83 -42.25 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.18 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.52 159.0 30.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.6 mt -40.52 151.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 98' ' ' ASP . 17.2 mt -104.25 -57.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 54' ' ' ILE . 11.4 ptp180 -164.27 -177.24 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.683 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.1 m-85 -138.84 137.13 36.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.623 HD13 ' C ' ' A' ' 53' ' ' TYR . 4.7 mm -102.72 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -86.11 114.81 23.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -105.9 129.88 53.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' HD12 ' A' ' 67' ' ' LEU . 39.1 ttp -105.47 143.29 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.1 t -124.56 94.97 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.1 tt0 -58.67 -153.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -69.71 95.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.39 11.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -74.86 147.4 83.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 142.77 28.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 76.8 m95 -44.88 108.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -108.54 122.8 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.38 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -80.85 -66.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -107.87 110.46 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -87.14 -32.84 19.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.54 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -114.1 102.88 10.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 68' ' ' LEU . 49.2 t -123.73 153.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -68.79 140.72 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -91.71 33.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -120.98 125.2 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.506 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 15.3 p -113.77 15.53 18.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.5 p -155.51 148.8 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.662 HG12 ' HB3' ' A' ' 38' ' ' LEU . 7.6 p -148.07 155.19 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.7 m -117.18 108.92 16.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.749 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 68.8 t -75.71 147.93 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -140.05 -178.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.37 51.02 58.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -108.58 173.84 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' A' ' 85' ' ' PRO . 38.8 t -116.4 136.88 23.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.0 138.65 23.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.76 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 77.63 43.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -150.18 140.85 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.4 m -80.85 141.51 34.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 37.8 m-85 -138.67 138.88 38.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 46.1 mt-30 -115.97 164.22 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 17.4 m-85 -147.81 141.02 25.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.51 101.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.918 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -103.32 155.1 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.6 p -121.37 170.33 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -99.3 121.44 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.487 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 75.9 t -115.8 132.21 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 39.0 p-10 -142.52 167.19 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.552 ' N ' HD12 ' A' ' 51' ' ' ILE . 18.8 t0 -39.4 -37.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 15' ' ' ARG . 44.5 t -56.38 -63.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.01 176.23 37.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 4.9 ttpt -68.85 127.92 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.58 -114.44 0.48 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.794 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 4.2 pm0 -136.74 159.57 41.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 56' ' ' GLU . 47.1 m-85 -94.42 148.73 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -72.74 161.1 31.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -55.63 159.49 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.05 108.07 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' GLU . 11.4 p -46.28 140.75 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.811 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 tt0 -37.35 128.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -37.35 97.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 109' ' ' GLU . 58.3 t -92.11 123.89 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -114.12 142.4 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.06 157.62 50.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.654 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 133.61 16.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.76 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 23.9 tt0 -56.95 149.48 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -159.9 -51.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.43 12.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.91 22.33 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.4 m -115.81 103.55 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.77 113.73 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.02 161.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -179.94 167.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.53 -151.36 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -93.39 -52.89 4.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m 63.74 160.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 126.16 14.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 137.63 25.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.32 138.39 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.062 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -122.46 -61.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.54 78.61 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 156.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 2.6 p -103.97 143.69 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.774 ' CG ' HG12 ' A' ' 99' ' ' VAL . 13.6 mtm180 -99.67 86.58 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.52 151.55 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 HD23 HG23 ' A' ' 99' ' ' VAL . 74.7 mt -75.42 146.26 80.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.1 Cg_endo -75.02 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -100.26 156.29 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.63 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.72 162.61 34.75 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.01 119.64 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.7 mp0 -81.37 173.88 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 42.12 52.32 6.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.648 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -74.96 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -105.3 149.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.74 104.89 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -120.31 165.83 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.704 HD23 HG12 ' A' ' 36' ' ' ILE . 4.3 mt -76.95 171.58 14.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 49.3 m -103.66 116.8 33.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.597 ' O ' HG13 ' A' ' 31' ' ' VAL . 20.7 p -91.25 35.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 30' ' ' THR . 20.0 m -158.46 -44.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 1.3 mp0 -95.77 113.79 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -56.22 134.6 53.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.704 ' HA ' HD21 ' A' ' 113' ' ' LEU . 7.3 mmt-85 51.08 48.24 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -133.75 140.13 46.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' THR . 81.3 mt -119.8 141.6 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.3 m-20 -102.46 130.38 49.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -124.36 135.13 53.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -143.03 127.34 17.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 39.9 p90 -126.31 178.22 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -101.91 156.98 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.4 112.46 26.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.439 1.757 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -87.89 126.33 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.8 p-10 -77.31 131.63 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.29 -43.27 57.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 1.3 t30 -178.04 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 160.97 31.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.0 36.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.4 mt -65.21 138.27 58.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 97' ' ' ASN . 30.3 mt -96.1 -47.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.21 -168.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.647 ' HE1' HD13 ' A' ' 50' ' ' LEU . 9.6 m-85 -146.73 132.91 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.751 HD12 ' HE2' ' A' ' 101' ' ' LYS . 69.1 mt -92.82 100.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -90.7 118.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.683 ' N ' HD22 ' A' ' 55' ' ' LEU . 18.7 mt-10 -110.57 137.97 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 58' ' ' SER . 40.9 ttp -115.86 145.32 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 57' ' ' MET . 0.3 OUTLIER -122.04 118.58 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.64 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 32.5 tt0 -101.53 93.36 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 61' ' ' ASN . 10.8 m120 55.46 112.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 60' ' ' ASN . 30.3 m-80 28.02 45.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.64 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -104.91 148.76 36.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 58.0 m95 -43.87 107.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -104.13 118.32 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.98 99.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 67' ' ' LEU . 6.4 mt -83.79 -59.2 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -110.62 109.5 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.9 -45.06 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.04 98.88 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -118.15 151.31 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 131.88 89.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.29 15.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -96.09 5.97 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.39 135.99 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.56 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -116.14 -2.43 12.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 6.9 p -139.66 153.23 47.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.06 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.38 157.4 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 89.2 m -118.94 135.73 54.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.016 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.0 t -108.43 102.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.36 155.37 16.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.76 74.6 0.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 61.9 mt -127.78 166.03 18.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.477 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.9 t -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.477 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 148.03 34.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB2' ' CA ' ' A' ' 115' ' ' GLU . . . 59.21 52.21 6.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -152.76 144.95 23.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 146.12 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 18.7 m-85 -145.05 125.43 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' MET . 31.4 mt-30 -108.08 156.27 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.016 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.6 m-85 -142.82 135.1 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.79 116.77 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -117.27 160.15 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.59 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 24.6 p -126.28 165.33 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.82 127.73 36.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.751 HG22 ' HG3' ' A' ' 101' ' ' LYS . 20.8 t -127.17 127.47 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -134.22 -175.3 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' HD12 ' A' ' 51' ' ' ILE . 23.2 t0 -49.65 -57.64 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.774 HG12 ' CG ' ' A' ' 15' ' ' ARG . 2.9 m -42.82 -50.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 162.32 -143.45 8.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.3 ttmt -118.01 145.07 45.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -94.32 -113.55 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.812 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.4 pm0 -129.03 169.26 14.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 59.8 m-85 -98.35 167.84 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 p -93.0 154.32 18.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -52.7 160.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -71.19 111.68 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 46.2 p -50.84 152.07 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.2 mt-10 -41.84 120.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -34.83 97.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.7 t -89.02 116.3 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 p -110.71 141.38 44.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -91.28 146.79 34.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.661 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.93 141.2 26.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.442 ' CA ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -50.23 -28.06 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.01 137.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -153.43 160.74 29.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 t -144.15 126.17 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 92.16 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -136.71 150.37 48.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.73 169.06 18.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.65 160.23 11.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -116.66 154.51 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.007 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -167.87 109.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.33 -158.76 9.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.37 166.37 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 110.24 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.81 172.51 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.048 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.08 173.47 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -106.18 152.56 23.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.32 174.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -85.72 146.01 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 2.6 p -94.84 130.25 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.674 ' CG ' HG12 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -87.14 89.49 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -92.53 148.32 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 HG23 ' A' ' 99' ' ' VAL . 84.7 mt -70.93 143.27 88.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.97 173.92 13.67 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -106.16 155.33 19.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.578 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -63.91 163.93 19.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 142.33 27.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.8 mt-10 -101.93 178.62 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.627 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 39.06 52.62 3.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.03 75.55 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.39 127.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.755 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -119.22 123.87 45.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -134.52 148.04 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.4 mt -52.57 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -14.28 19.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p 39.53 52.13 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER 177.37 -50.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -89.18 167.51 13.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.6 mtt180 -59.88 -139.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.881 ' HA ' HD21 ' A' ' 113' ' ' LEU . 1.9 mpt_? -66.36 58.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . -118.09 133.62 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' CD2' ' A' ' 83' ' ' LEU . 63.0 mt -117.08 135.71 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -92.01 111.02 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.755 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.57 135.85 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -140.33 123.69 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.907 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.9 p90 -135.03 176.11 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 m -103.59 154.89 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 113.48 39.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.04 175.98 10.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.5 t80 -88.13 128.69 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 2.6 p-10 -78.42 133.54 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.1 -44.62 42.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 2.1 t30 -173.57 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 158.29 37.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.0 34.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.529 1.805 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 53' ' ' TYR . 75.6 mt -58.62 145.26 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 98' ' ' ASP . 25.5 mt -105.02 -41.86 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' NH2' HG21 ' A' ' 51' ' ' ILE . 6.5 ptp85 -168.75 173.44 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 m-85 -128.06 136.4 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 40.3 mt -105.4 101.68 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 78' ' ' VAL . 6.8 tp -89.06 128.64 35.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -120.62 123.74 43.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 58' ' ' SER . 44.1 ttp -106.34 147.57 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.409 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.4 t -122.36 109.99 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.679 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 26.4 tt0 -77.38 92.18 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 58.67 -94.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -108.66 33.29 4.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.679 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -95.88 148.34 34.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 145.32 31.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 73.3 m95 -43.96 108.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.9 115.68 30.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.78 100.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -81.09 -57.04 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.38 111.13 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.32 -67.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 106.92 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 68' ' ' LEU . 12.3 t -120.18 153.32 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.27 127.66 92.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.08 11.5 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.86 138.09 50.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 2.0 p -115.5 4.31 14.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 5.3 p -145.38 148.3 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 55' ' ' LEU . 9.7 p -146.04 152.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.1 m -104.03 133.6 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 91' ' ' PHE . 86.2 t -108.15 101.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -99.3 168.94 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.75 46.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.792 ' HB3' HD13 ' A' ' 113' ' ' LEU . 2.9 mp -93.84 160.68 14.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 85' ' ' PRO . 64.1 t -102.23 139.27 20.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.4 27.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 69.65 48.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -153.81 144.84 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -80.73 146.94 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 21.8 m-85 -145.39 128.41 16.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -108.84 158.4 17.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.6 m-85 -141.82 136.57 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -158.72 107.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.907 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -105.59 160.05 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 21.0 p -125.22 174.15 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.43 127.46 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.841 HG22 ' HG3' ' A' ' 101' ' ' LYS . 12.5 t -127.28 130.43 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -135.27 -174.2 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.549 ' N ' HD12 ' A' ' 51' ' ' ILE . 36.9 t70 -54.79 -44.65 73.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.72 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -53.79 -42.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.11 -151.49 23.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' ' 96' ' ' VAL . 2.7 ttmt -112.65 142.52 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.92 -108.91 1.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.721 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -139.75 168.41 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 56' ' ' GLU . 8.2 m-85 -99.6 159.46 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 2.9 p -79.2 157.13 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 161.65 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.24 101.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.888 HG22 ' HB2' ' A' ' 24' ' ' PRO . 22.0 p -42.39 150.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -36.47 118.13 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -37.02 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 109' ' ' GLU . 85.3 t -93.27 135.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 t -126.23 141.83 51.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.881 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -86.15 156.19 57.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.816 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 152.51 40.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.723 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.2 tt0 -67.88 163.94 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -106.4 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.13 174.81 38.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.3 3.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.88 143.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.0 m -66.36 138.58 57.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.55 -71.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -87.0 143.35 27.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.61 -118.01 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t 66.99 164.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 p -106.89 164.37 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.01 50.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.2 162.82 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.1 137.11 36.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.54 111.78 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 4.7 t-160 -126.55 63.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.96 79.18 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.84 138.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.7 p -86.87 127.78 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.738 ' CG ' HG12 ' A' ' 99' ' ' VAL . 11.2 mtm105 -84.26 93.64 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.34 153.77 18.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.829 HD23 HG23 ' A' ' 99' ' ' VAL . 33.6 mt -81.72 138.68 47.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.08 132.93 15.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.742 ' HE1' ' HA ' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -65.2 163.71 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.658 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -65.73 163.96 30.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 152.92 41.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.8 mt-10 -110.74 178.58 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.636 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 41.86 52.09 6.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.875 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.95 82.99 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.72 134.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.75 107.35 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -125.54 164.1 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.1 mt -59.05 165.04 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -94.39 111.12 22.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.4 p -84.37 11.63 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 32' ' ' GLU . 30.0 m -127.29 -49.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.466 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm-40 -104.13 130.98 51.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 mmt-85 -73.86 140.61 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.834 ' HA ' HD21 ' A' ' 113' ' ' LEU . 52.4 mtm180 61.96 29.6 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -124.35 169.54 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.754 HD13 HG11 ' A' ' 111' ' ' VAL . 68.1 mt -140.25 139.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 106.24 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.719 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -95.04 125.54 39.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -140.02 123.86 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.8 p90 -130.76 179.48 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' GLU . 7.8 m -103.13 158.75 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -76.6 113.28 27.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.742 ' HA ' ' HE1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 148.84 35.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.8 t80 -66.63 129.18 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 6.2 p-10 -79.91 130.03 34.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.99 -35.27 48.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 2.8 t-20 174.36 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.9 157.89 35.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.48 31.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.19 145.49 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.8 -51.2 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -159.15 179.52 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 1.119 ' CD1' HD12 ' A' ' 93' ' ' LEU . 2.1 m-85 -133.48 137.19 45.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.826 HD12 ' HE2' ' A' ' 101' ' ' LYS . 10.5 mt -112.64 100.65 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 2.1 tp -88.64 117.06 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -105.03 118.0 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.4 ttp -101.3 141.95 33.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 t -124.77 107.51 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.706 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.6 tt0 -68.91 -162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -55.78 99.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.69 18.18 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -80.35 149.03 68.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.92 29.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.638 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.9 m95 -44.37 110.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -110.79 113.28 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.841 HG22 ' CD ' ' A' ' 56' ' ' GLU . 58.0 t -56.13 100.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 67' ' ' LEU . 3.6 mt -78.93 -65.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -107.88 110.16 21.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.51 -49.89 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.52 100.07 11.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 9.1 t -123.33 152.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.4 135.35 88.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.33 9.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 7.04 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.55 126.73 52.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.9 p -108.16 -1.14 20.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.554 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 6.1 t -141.71 164.42 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.719 HG12 ' HB3' ' A' ' 38' ' ' LEU . 3.8 p -158.84 154.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.9 m -116.41 108.39 15.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' A' ' 91' ' ' PHE . 79.2 t -79.12 145.24 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -135.18 167.16 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.58 68.95 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.31 168.14 11.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.8 t -95.15 130.74 31.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -74.98 147.48 34.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 115' ' ' GLU . . . 64.41 52.96 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -157.45 143.99 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -80.14 154.1 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 27.1 m-85 -145.08 139.74 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' MET . 45.2 mt-30 -127.47 127.43 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.1 m-85 -111.65 151.9 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.638 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -172.89 104.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.119 HD12 ' CD1' ' A' ' 53' ' ' TYR . 1.4 pt? -104.18 163.68 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 30.0 p -126.15 174.85 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.59 121.72 44.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.701 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.0 t -121.38 131.28 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 4.0 p-10 -138.76 -175.84 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -46.26 -59.73 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.829 HG23 HD23 ' A' ' 17' ' ' LEU . 2.3 m -40.91 -49.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 157.46 -145.8 12.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.826 ' HE2' HD12 ' A' ' 54' ' ' ILE . 20.5 ttmt -113.98 146.86 39.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.86 -110.78 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.658 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.2 pt20 -133.96 164.87 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 9.3 m-85 -95.08 167.5 11.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 p -88.1 161.95 17.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.09 157.65 21.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 25.7 p30 -59.61 109.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.875 HG22 ' HB2' ' A' ' 24' ' ' PRO . 40.9 p -52.0 155.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -39.8 111.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.47 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.754 HG11 HD13 ' A' ' 36' ' ' ILE . 1.7 p -90.64 133.42 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -118.13 141.45 48.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.834 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -88.17 157.49 50.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.689 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 145.1 30.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.805 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 7.3 tm-20 -57.52 -39.24 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.95 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 135.71 145.37 5.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.53 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.4 99.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.1 p -65.03 89.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 65.05 97.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 58.82 169.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.3 -143.57 15.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.8 95.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t 62.53 167.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.99 -132.76 1.9 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.93 85.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m 45.1 82.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.71 91.11 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -145.69 155.16 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt 63.93 156.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 108.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 6.0 p -106.94 129.53 60.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -75.8 94.62 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER -107.43 167.13 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 17' ' ' LEU . 14.7 mt -62.28 144.76 94.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.57 159.39 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.64 164.79 17.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.96 154.17 42.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.9 mt-10 -105.69 178.25 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.67 56.12 2.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.04 81.98 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.2 t -97.03 139.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.69 121.47 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.53 143.38 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -57.25 165.46 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.5 t -88.19 108.23 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.0 p -76.71 -0.07 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.31 -33.32 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . 3.1 mm-40 -114.33 151.92 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -92.36 150.88 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 45.98 35.56 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -132.44 133.58 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.792 HD12 ' CD1' ' A' ' 83' ' ' LEU . 54.1 mt -106.76 146.29 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.21 116.59 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 26' ' ' ALA . 2.1 tp -102.9 139.38 38.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -141.77 122.86 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.813 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.0 p90 -134.45 168.36 19.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m -96.06 156.61 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.73 113.33 34.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.17 11.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.8 t80 -91.7 125.7 36.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.9 p30 -87.59 139.28 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -36.16 -71.77 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.68 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.99 159.41 37.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 123.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' OH ' ' A' ' 53' ' ' TYR . 7.1 mt -40.08 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.1 mt -111.03 -52.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -166.22 175.71 8.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.643 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.6 m-85 -133.95 135.25 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.809 HD12 ' HE2' ' A' ' 101' ' ' LYS . 56.5 mt -97.69 99.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 120.36 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.81 129.79 55.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 63.2 ttp -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 t -124.99 104.75 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.623 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.3 tt0 -71.28 -151.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 88' ' ' SER . 3.4 m-20 -66.47 95.68 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.15 13.0 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -75.6 147.24 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.09 29.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.26 108.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -106.55 115.49 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.24 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 80' ' ' VAL . 15.9 tp -82.31 -55.64 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -117.62 110.49 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.33 -32.81 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.525 ' O ' HD22 ' A' ' 68' ' ' LEU . 42.7 t -111.1 101.32 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 69.7 t -120.66 148.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.94 88.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.22 16.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -91.15 -2.87 57.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.92 127.99 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.5 p -111.94 0.17 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -143.05 150.62 39.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 38' ' ' LEU . 4.1 p -143.58 157.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 41.9 m -120.83 136.89 54.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.838 HG21 ' CE1' ' A' ' 91' ' ' PHE . 49.0 t -113.87 101.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.65 164.17 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.5 69.65 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 36' ' ' ILE . 18.2 mt -118.99 154.37 33.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 24.8 t -91.12 135.63 28.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 144.97 31.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 65.54 49.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -148.63 144.96 27.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.411 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.44 143.33 33.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 30.4 m-85 -143.9 134.03 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 7.3 mm-40 -126.14 164.68 20.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' HG21 ' A' ' 80' ' ' VAL . 86.1 m-85 -149.6 154.91 39.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 ptt180 -172.35 110.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.1 pt? -110.11 155.85 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 13.5 p -119.69 175.56 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.51 122.43 44.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 101' ' ' LYS . 26.4 t -119.61 124.86 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 44.6 p-10 -135.9 170.89 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HD12 ' A' ' 51' ' ' ILE . 29.4 t0 -40.67 -54.47 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.0 t -46.35 -47.99 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 156.8 -159.78 29.83 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 96' ' ' VAL . 23.2 ttmt -107.01 141.7 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.799 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.34 -106.25 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -137.32 169.8 17.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 6.4 m-85 -100.9 145.12 29.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -64.16 155.22 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.48 162.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.1 p-10 -65.61 113.17 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 38' ' ' LEU . 12.6 p -54.05 146.92 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.0 OUTLIER -37.36 110.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.3 ttt180 -30.6 97.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.5 t -88.04 113.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 t -101.0 142.27 32.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.0 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.2 OUTLIER -77.18 136.56 65.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 1.0 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.02 129.91 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 15.0 tt0 -59.06 142.68 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.0 t -76.11 102.34 5.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 51.9 -135.29 34.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.417 1.073 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -66.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.5 t 41.44 81.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.8 p -60.35 106.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -174.88 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -160.51 163.01 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.44 160.86 14.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.56 165.03 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.36 151.16 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.41 -164.73 10.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.65 165.59 14.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.01 -57.19 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.44 173.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -161.95 -58.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -97.59 -59.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -113.91 144.32 43.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 p -86.91 126.87 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.747 ' HB3' HG22 ' A' ' 99' ' ' VAL . 3.3 mtm180 -84.71 94.42 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.82 167.21 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 17' ' ' LEU . 11.3 mt -93.26 140.89 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.95 165.66 30.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -105.57 159.48 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' C ' ' A' ' 103' ' ' GLN . . . -65.28 164.39 24.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 153.48 41.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 23' ' ' HIS . 10.6 mt-10 -106.48 176.09 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.733 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.6 p-80 33.03 56.47 1.37 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.95 81.67 2.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.62 143.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.717 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -136.17 106.66 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -107.29 145.98 32.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.733 HD23 HG12 ' A' ' 36' ' ' ILE . 6.5 mt -56.38 177.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -121.19 66.01 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 p -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 32' ' ' GLU . 16.1 m -75.28 -52.62 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.9 mm-40 -98.46 121.7 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt-85 -71.38 129.06 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.846 ' HA ' HD21 ' A' ' 113' ' ' LEU . 45.3 mtm-85 70.81 39.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -138.39 160.39 39.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.733 HG12 HD23 ' A' ' 28' ' ' LEU . 67.4 mt -140.11 132.24 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' THR . 13.3 m-20 -88.77 105.51 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.717 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.89 131.84 34.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.6 p -137.65 128.88 27.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.77 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.6 p90 -143.97 175.95 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.446 ' OG1' ' CE1' ' A' ' 23' ' ' HIS . 1.5 m -103.67 155.76 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 112.99 32.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.7 t80 -85.74 128.37 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -86.39 153.25 22.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 47' ' ' ASN . . . -82.19 69.75 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.1 t-20 75.4 -51.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -88.15 146.51 38.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.29 12.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.73 149.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.42 -52.47 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -155.4 -173.51 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 93' ' ' LEU . 11.1 m-85 -138.49 137.88 37.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.653 HD12 ' HE2' ' A' ' 101' ' ' LYS . 22.3 mt -105.43 99.11 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.62 116.42 26.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -113.38 136.54 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.555 ' O ' HG22 ' A' ' 65' ' ' THR . 7.0 tmm? -110.63 147.44 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 13.3 t -126.6 89.05 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -62.92 -168.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 62' ' ' ALA . 1.9 m-80 -41.84 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.72 29.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.06 147.17 36.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 141.3 26.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.0 m95 -44.22 119.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 57' ' ' MET . 3.2 t -116.31 128.82 55.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.56 100.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 80' ' ' VAL . 12.7 tp -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.68 109.95 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.41 -61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 100.04 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.04 147.72 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.56 137.6 88.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.27 3.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -78.89 -2.59 40.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.99 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.459 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 17.2 p -121.29 8.17 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -150.16 146.18 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 38' ' ' LEU . 6.0 p -148.3 153.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -119.01 114.09 21.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 67' ' ' LEU . 48.1 t -85.83 149.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.08 158.73 43.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.65 22.66 38.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.564 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.1 mp -81.63 160.15 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.37 135.7 23.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.49 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.95 143.6 29.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 70.63 47.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -155.57 149.81 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.12 150.18 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.2 m-85 -145.56 119.66 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 57' ' ' MET . 82.4 mt-30 -109.12 128.32 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.434 ' HZ ' HD21 ' A' ' 83' ' ' LEU . 25.8 m-85 -111.84 152.4 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.65 ' NH1' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -168.95 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.05 161.72 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.524 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 20.5 p -125.68 175.11 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.43 121.58 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 101' ' ' LYS . 25.3 t -115.44 132.63 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 46.7 p-10 -138.92 165.71 26.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' ASN . 56.5 t0 -39.38 -47.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.747 HG22 ' HB3' ' A' ' 15' ' ' ARG . 21.2 t -50.58 -61.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.25 -172.44 41.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -70.14 146.46 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.2 -109.32 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.701 ' C ' ' HB2' ' A' ' 20' ' ' ALA . 1.5 mt-30 -131.84 156.63 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CD2' ' NH1' ' A' ' 92' ' ' ARG . 39.2 m-85 -100.56 143.36 30.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 p -75.6 149.09 38.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 162.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -67.99 115.45 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 24' ' ' PRO . 17.9 p -49.26 145.08 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -38.04 127.43 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.5 OUTLIER -38.06 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 109' ' ' GLU . 53.8 t -88.26 119.51 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 136.21 46.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.846 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -92.87 140.73 23.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.576 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 149.09 36.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt0 -71.97 132.84 44.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -60.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.92 25.97 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.61 31.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -91.28 -58.86 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.3 m -92.53 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t 62.38 127.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -179.94 152.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.55 -170.02 21.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -47.35 169.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.19 159.48 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.56 131.89 1.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.67 72.32 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -165.25 158.13 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.36 -61.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -178.79 -62.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.01 169.82 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -46.04 127.07 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -110.6 132.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.786 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.69 71.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -93.03 139.23 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.07 148.37 51.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 64.2 m170 -98.23 147.49 24.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.2 164.21 19.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -75.05 120.65 6.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 4.7 mt-10 -86.98 175.73 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 38.58 52.55 3.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.605 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.88 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.1 Cg_endo -74.97 77.82 3.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 23' ' ' HIS . 2.0 t -97.2 128.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -115.36 121.47 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -117.62 149.16 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 36' ' ' ILE . 4.0 mt -66.46 177.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -109.99 99.57 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -74.62 -6.03 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 32' ' ' GLU . 20.3 m -108.92 -51.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.0 tm-20 -96.5 123.89 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -71.79 140.07 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.757 ' HA ' HD21 ' A' ' 113' ' ' LEU . 81.0 mtt180 59.71 39.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -134.97 151.34 50.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.726 HG12 HD23 ' A' ' 28' ' ' LEU . 68.6 mt -132.31 125.86 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' THR . 9.7 m-20 -92.48 114.9 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 26' ' ' ALA . 1.5 tp -94.1 145.62 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -147.06 121.19 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.84 ' CE2' HD11 ' A' ' 93' ' ' LEU . 45.2 p90 -129.42 -175.76 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.056 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 m -106.09 155.26 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 112.83 34.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 175.85 10.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 38.1 t80 -86.84 152.17 22.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 2.6 p-10 -97.39 126.24 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -53.56 -40.01 61.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' ND2' ' H ' ' A' ' 14' ' ' VAL . 6.4 m-80 -178.31 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.71 158.8 35.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.41 42.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.51 136.07 54.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.57 -52.37 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 0.2 OUTLIER -165.68 -169.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -142.81 144.61 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 71.2 mt -107.96 99.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.861 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.8 120.08 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 4.0 mt-10 -112.52 123.24 49.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 ttp -103.6 138.12 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.94 118.62 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 16.8 tt0 -133.06 137.46 46.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' ASN . 2.4 m-20 63.84 69.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ASN . 21.8 m-80 36.19 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . -90.9 150.34 41.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.45 34.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 67.7 m95 -43.06 109.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -104.22 114.73 29.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.36 100.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -86.66 -59.59 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.791 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.01 109.82 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.51 -40.89 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 22.6 t -101.56 100.34 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.791 HG22 HD13 ' A' ' 68' ' ' LEU . 55.6 t -121.59 152.36 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -70.3 138.12 86.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.86 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -86.53 9.83 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -97.56 138.22 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.482 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 11.6 p -122.64 4.46 9.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.0 p -148.72 144.29 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.861 HG11 HD12 ' A' ' 55' ' ' LEU . 9.8 p -141.59 156.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 54.9 m -113.6 137.07 52.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.938 HG21 ' CE1' ' A' ' 91' ' ' PHE . 64.2 t -110.64 101.37 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -94.37 164.21 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 83' ' ' LEU . . . 68.28 70.33 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.667 HD22 ' CE1' ' A' ' 89' ' ' TYR . 43.1 mt -123.56 167.54 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 76.2 t -101.92 130.53 24.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.01 141.32 26.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 74.95 45.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -153.41 150.11 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 m -79.68 149.17 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.667 ' CE1' HD22 ' A' ' 83' ' ' LEU . 11.4 m-85 -145.78 128.28 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 37.2 mt-30 -113.97 161.87 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -149.35 142.7 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -164.08 112.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.2 pt? -113.43 152.98 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 7.5 p -115.62 173.72 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 114.53 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.788 HG22 ' HG3' ' A' ' 101' ' ' LYS . 54.9 t -111.88 130.24 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 2.4 p-10 -140.43 176.57 8.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' ASN . 22.8 t70 -39.91 -58.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.786 HG12 ' HG2' ' A' ' 15' ' ' ARG . 1.8 m -40.97 -50.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.57 -134.14 3.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.788 ' HG3' HG22 ' A' ' 96' ' ' VAL . 3.2 ttmt -128.81 136.37 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -91.8 -118.48 2.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 pt20 -116.0 173.56 6.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.3 m-85 -107.81 168.67 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.9 p -89.03 141.07 28.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.86 158.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 16.2 p30 -56.96 119.91 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.88 HG22 ' HB2' ' A' ' 24' ' ' PRO . 26.9 p -62.3 155.5 24.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 mt-10 -39.16 112.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -35.0 99.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 109' ' ' GLU . 79.8 t -95.6 122.75 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 t -112.72 142.25 45.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.89 142.58 29.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.544 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.78 159.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.8 p -80.77 74.1 7.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.08 -144.46 15.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.04 7.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.5 169.78 17.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -96.85 144.04 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -156.78 168.75 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 60.57 148.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.75 170.41 12.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.02 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -93.0 167.62 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.56 152.77 24.48 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.123 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -69.56 157.28 37.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 25.3 t -147.69 82.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' SER . . . 70.74 -73.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER 84.96 -66.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.5 mt -90.94 158.48 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.71 121.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.88 132.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.728 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -69.29 72.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 10.6 tp-100 -92.95 141.99 27.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.35 147.66 57.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 55.4 m170 -94.25 147.76 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 162.93 24.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.49 ' CG ' ' O ' ' A' ' 93' ' ' LEU . 18.2 Cg_endo -75.03 130.62 13.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.4 mt-10 -96.19 178.08 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 39.91 52.08 4.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.564 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.754 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.01 82.7 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -95.95 125.75 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.721 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -126.08 106.93 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -126.67 152.7 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.904 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.8 mt -45.19 169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.87 -26.64 15.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p 48.49 22.28 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 32' ' ' GLU . 27.7 m -140.4 -55.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.54 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.5 tm-20 -95.02 125.89 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -55.45 126.93 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.859 ' HA ' HD21 ' A' ' 113' ' ' LEU . 5.7 mmt-85 55.92 55.17 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -141.24 148.61 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 HD21 ' A' ' 83' ' ' LEU . 79.1 mt -126.27 142.54 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.73 105.26 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.723 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -90.62 128.23 36.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -138.99 131.63 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.945 ' CE2' HD11 ' A' ' 93' ' ' LEU . 36.1 p90 -140.28 -175.31 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 m -109.69 155.91 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -80.49 112.8 34.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 176.06 10.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 48.8 t80 -83.31 158.96 22.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.557 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 4.5 p-10 -102.7 124.98 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -54.88 -31.09 54.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 4.5 m-20 171.36 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.63 155.03 38.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 135.67 19.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.701 HD13 ' OH ' ' A' ' 53' ' ' TYR . 88.6 mt -49.6 139.41 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 mt -104.71 -54.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -162.37 -178.23 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.701 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -136.59 142.17 43.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 66.4 mt -105.01 98.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 93' ' ' LEU . 1.2 tm? -87.59 107.7 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HD22 ' A' ' 55' ' ' LEU . 19.4 mt-10 -102.41 123.03 45.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 67' ' ' LEU . 57.2 ttp -100.89 146.26 27.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.99 106.93 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.624 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.3 tt0 -69.68 -167.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -54.11 100.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 56.11 22.73 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -87.01 148.79 46.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.26 32.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.33 114.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.1 t -114.72 113.84 24.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.6 100.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.72 -62.37 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -109.7 109.68 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.11 -46.9 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.72 100.74 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 70.9 t -122.82 145.57 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.92 137.72 87.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.36 9.28 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.73 -22.32 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.78 126.16 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -109.08 2.56 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.6 p -144.24 152.5 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.3 p -145.92 156.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -118.47 106.46 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.024 HG21 ' CE1' ' A' ' 91' ' ' PHE . 95.8 t -75.24 153.37 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -143.9 166.72 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.97 30.9 58.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' A' ' 113' ' ' LEU . 1.1 mp -84.34 175.53 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 72.6 t -115.42 143.19 29.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 145.56 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 57.69 50.1 11.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -147.23 140.79 25.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 m -80.0 145.27 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 36.4 m-85 -144.0 128.25 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 34.7 mt-30 -110.35 146.48 35.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.024 ' CE1' HG21 ' A' ' 80' ' ' VAL . 50.5 m-85 -128.89 146.57 50.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -168.58 105.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.0 pt? -109.05 156.18 20.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.608 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 28.7 p -121.17 174.83 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 118.75 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 101' ' ' LYS . 41.0 t -114.85 124.21 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.2 p-10 -129.43 -175.07 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -49.02 -53.2 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.728 HG12 ' HG2' ' A' ' 15' ' ' ARG . 2.0 m -45.08 -50.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.85 -134.71 3.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -128.22 137.55 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -95.18 -117.1 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.608 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 1.6 pt20 -118.92 166.81 12.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 4.7 m-85 -98.12 -176.26 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 5.1 p -98.5 149.56 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.97 157.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.421 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -62.92 105.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.754 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.0 p -47.91 145.23 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.5 tt0 -36.5 121.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.8 ttt180 -37.9 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.8 t -90.76 133.49 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.3 t -122.48 139.45 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.21 157.15 51.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.904 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 149.93 37.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.595 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.5 tt0 -69.51 153.59 43.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.2 90.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 68.5 145.02 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 61.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.59 166.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 m -94.44 116.24 28.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 63.86 167.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.8 155.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.07 -129.66 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -178.07 101.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -144.12 114.61 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.59 123.99 4.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -54.8 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.45 -56.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.71 -58.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.59 -171.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 -175.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -40.79 124.45 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 12.7 p -117.55 134.64 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -72.91 90.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' HG21 ' A' ' 99' ' ' VAL . 10.2 pt20 -114.61 170.53 8.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG23 ' A' ' 99' ' ' VAL . 53.7 mt -67.26 145.78 98.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.31 153.1 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.21 162.15 34.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.616 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -92.46 169.43 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.3 m-70 45.61 51.05 8.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -98.02 142.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.85 104.84 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -126.31 155.33 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.5 mt -77.81 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.26 115.17 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -82.87 9.57 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.51 -44.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.4 tm-20 -101.86 135.92 42.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -78.04 148.67 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 44.28 48.53 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -144.01 132.92 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' CD1' ' A' ' 83' ' ' LEU . 96.2 mt -112.88 151.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.36 118.42 32.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -113.27 137.78 50.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.19 125.54 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -125.98 177.8 6.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 61.2 m -102.01 156.55 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.63 111.65 19.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.1 10.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -82.07 126.97 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.7 p-10 -84.23 140.54 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.75 53.5 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.649 ' ND2' ' H ' ' A' ' 14' ' ' VAL . 70.1 m-80 61.81 22.69 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.67 141.55 40.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.52 5.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 ' OH ' ' A' ' 53' ' ' TYR . 77.3 mt -43.27 148.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' C ' ' A' ' 97' ' ' ASN . 42.6 mt -111.95 -58.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -160.11 172.26 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 14.1 m-85 -132.64 129.65 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.86 HD12 ' HE2' ' A' ' 101' ' ' LYS . 74.9 mt -90.9 99.6 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -87.6 114.73 24.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' HD22 ' A' ' 55' ' ' LEU . 27.5 mt-10 -109.89 135.48 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.705 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 tmm? -112.25 148.32 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.594 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 45.8 t -125.61 88.97 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.591 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.0 tt0 -60.86 -152.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ALA . 13.0 m-20 -62.09 105.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.9 24.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -86.37 146.49 42.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.02 145.27 31.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.613 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 75.2 m95 -43.68 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 57' ' ' MET . 4.4 t -108.73 133.26 53.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.68 100.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.2 mt -80.92 -55.32 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.6 109.21 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.64 -69.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 100.16 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 6.0 t -114.45 152.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.72 131.75 91.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.07 12.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -93.59 14.74 17.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.67 141.45 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 1.1 p -119.94 -2.38 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.8 p -142.03 149.33 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 68' ' ' LEU . 9.9 p -141.84 157.21 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 53.6 m -114.04 130.67 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.091 HG21 ' CE1' ' A' ' 91' ' ' PHE . 41.9 t -106.4 100.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -100.46 162.17 13.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.93 56.62 5.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.0 mt -108.14 157.4 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 85' ' ' PRO . 95.8 t -86.75 141.47 33.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.94 28.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.724 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 58.67 50.04 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -147.51 141.25 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -80.49 147.4 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 83' ' ' LEU . 29.6 m-85 -144.55 130.73 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.74 170.29 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.091 ' CE1' HG21 ' A' ' 80' ' ' VAL . 72.1 m-85 -152.87 143.16 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -166.21 103.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.752 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.7 pt? -107.18 158.02 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 30.7 p -124.32 174.3 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.74 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 101' ' ' LYS . 43.0 t -122.97 122.59 66.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.58 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.9 p-10 -132.37 -177.42 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 51' ' ' ILE . 50.2 t0 -51.07 -54.41 25.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.686 HG23 HD23 ' A' ' 17' ' ' LEU . 4.4 m -44.47 -42.36 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.02 -148.0 18.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.148 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE2' HD12 ' A' ' 54' ' ' ILE . 12.3 ttmt -113.12 150.97 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -100.0 -119.02 4.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -131.99 161.89 32.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.249 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -91.59 146.47 23.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 p -71.33 155.76 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.64 165.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 3.5 p-10 -72.56 109.15 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 38' ' ' LEU . 24.8 p -54.6 150.83 8.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -38.79 119.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -38.71 114.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 26' ' ' ALA . 3.3 t -95.54 125.61 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.2 p -106.16 137.62 43.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.047 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -79.22 148.57 71.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 1.047 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.0 122.67 7.35 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 5.3 tm-20 -62.83 103.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.3 p -42.85 151.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -122.86 138.48 11.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.44 5.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t 53.64 89.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p -80.73 122.2 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.12 -58.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -44.06 150.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.42 173.2 13.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -141.7 168.54 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -101.57 150.36 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.19 -151.77 5.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.11 133.7 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 t -118.14 141.39 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.59 164.78 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 133.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mp 67.52 152.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -81.75 155.15 25.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.9 p -100.03 131.35 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' CG ' HG12 ' A' ' 99' ' ' VAL . 1.4 mtm105 -87.46 89.18 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.826 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.6 tp-100 -91.86 159.32 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG23 ' A' ' 99' ' ' VAL . 18.9 mt -82.6 144.82 49.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.99 -178.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -119.22 157.7 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 103' ' ' GLN . . . -63.75 163.21 22.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.5 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' HIS . 3.5 mt-10 -97.38 178.25 5.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.23 54.54 3.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.831 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.99 79.8 2.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -95.96 122.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -121.26 106.0 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 146.55 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 36' ' ' ILE . 3.3 mt -65.53 170.2 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' ALA . 32.8 p -85.76 119.38 26.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.0 p -86.82 14.24 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 32' ' ' GLU . 14.6 m -137.82 -52.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.6 mm-40 -84.95 160.98 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -101.54 139.79 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 51.92 47.57 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -142.53 130.03 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.771 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.2 mt -111.25 136.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 104.24 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.82 127.2 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 p -138.91 127.34 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.684 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.1 p90 -136.47 -177.05 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -108.91 156.07 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.52 113.5 37.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.02 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.9 t80 -84.12 128.55 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 11.1 p-10 -81.54 129.27 34.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -44.68 -45.15 8.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 1.0 OUTLIER -178.81 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -93.44 160.23 33.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.17 40.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 53' ' ' TYR . 21.7 mt -71.61 139.94 49.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.88 -53.75 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -151.41 167.52 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.698 ' CE1' HD13 ' A' ' 50' ' ' LEU . 1.6 m-85 -127.32 128.95 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 101' ' ' LYS . 60.0 mt -95.08 126.7 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD13 ' C ' ' A' ' 55' ' ' LEU . 1.2 tm? -116.95 117.88 30.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -108.22 123.03 48.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 67' ' ' LEU . 56.2 ttp -103.12 145.74 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -124.62 115.1 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.71 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 tt0 -87.77 94.0 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 30.8 m-20 62.86 -97.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 16.47 22.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -74.82 150.25 86.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 143.66 29.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 70.6 m95 -43.12 108.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 65' ' ' THR . 2.2 t -110.11 105.63 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 1.1 p -54.84 101.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 67' ' ' LEU . 9.9 mt -81.0 -50.71 9.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.822 HD13 HG21 ' A' ' 78' ' ' VAL . 1.1 mt -112.01 110.42 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.75 -60.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.91 102.04 14.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG22 HD22 ' A' ' 68' ' ' LEU . 53.2 t -118.42 153.68 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 132.28 92.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.09 20.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.774 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -101.17 7.72 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.97 142.93 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.532 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -123.58 3.0 8.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.541 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 3.1 p -146.88 156.47 43.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.822 HG21 HD13 ' A' ' 68' ' ' LEU . 5.4 p -153.17 156.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.8 m -113.18 134.97 54.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 91' ' ' PHE . 20.1 t -114.2 107.15 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.72 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 14.5 mtmt -109.8 150.21 28.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.44 10.41 36.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.771 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -67.36 157.41 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 85' ' ' PRO . 84.8 t -91.36 142.59 27.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 144.05 29.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.883 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 61.94 47.44 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -148.79 149.94 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 55.2 m-85 -144.35 131.1 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -110.2 149.41 30.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.8 m-85 -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.581 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -165.93 105.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.0 pt? -112.76 153.54 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.526 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 13.8 p -120.62 175.81 5.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 50' ' ' LEU . . . -103.19 140.56 37.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 101' ' ' LYS . 13.8 t -137.33 132.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.705 ' CG ' HG22 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -134.62 -175.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.493 ' OD1' HG13 ' A' ' 99' ' ' VAL . 5.0 p-10 -60.72 -33.75 73.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.826 HG21 ' O ' ' A' ' 16' ' ' GLN . 4.3 m -63.39 -37.43 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 152.36 -149.43 21.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.617 ' HE2' HD12 ' A' ' 54' ' ' ILE . 22.6 ttmt -119.85 153.93 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -105.2 -130.19 6.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.711 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -119.21 158.2 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 18.9 m-85 -88.6 162.05 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -82.14 155.13 25.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.86 157.48 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 2.7 p30 -59.04 109.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.831 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.4 p -52.69 150.49 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -37.81 124.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 36' ' ' ILE . 6.7 t -93.66 124.29 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -107.04 140.65 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -79.55 151.02 74.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.01 115.33 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.883 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -58.92 99.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -93.63 124.98 37.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 125.53 146.06 6.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.39 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.9 m -39.29 146.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 108.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -136.77 -57.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -133.47 107.25 7.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.9 73.2 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 164.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.66 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.76 -80.71 0.28 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 66.84 105.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -160.7 135.56 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.16 -60.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -178.87 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mp -45.79 135.52 6.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.26 115.66 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.95 124.39 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' HG22 ' A' ' 99' ' ' VAL . 3.2 mtt85 -81.82 89.44 6.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -95.5 165.22 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 17' ' ' LEU . 16.5 mt -59.24 140.11 87.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -99.13 171.83 7.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -74.51 163.76 65.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 153.81 41.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.8 mt-10 -105.15 179.26 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.34 56.22 2.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.99 80.3 2.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.64 144.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -140.32 110.95 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -119.83 153.79 35.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD23 ' CG1' ' A' ' 36' ' ' ILE . 2.6 mt -75.01 170.31 16.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 75.2 m -92.55 122.53 35.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.1 p -91.33 25.48 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -150.22 -48.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 1.5 mm-40 -90.4 122.52 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -68.97 134.15 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 57.24 51.08 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -145.63 132.22 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.7 HD12 ' CD1' ' A' ' 83' ' ' LEU . 94.9 mt -114.45 141.76 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.0 m-20 -104.55 105.7 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.638 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 tp -87.98 140.72 29.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.8 p -143.62 122.35 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.4 p90 -134.14 171.43 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 m -94.47 159.09 15.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' NZ ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.89 113.39 26.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.1 152.54 40.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.534 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -64.48 153.23 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.0 p-10 -115.28 120.67 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -35.38 -49.52 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.424 HD21 ' HA ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER 170.47 38.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.17 155.79 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.08 118.79 5.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 33.6 mt -39.42 145.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -99.27 -55.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -164.5 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' A' ' 93' ' ' LEU . 19.8 m-85 -141.0 149.97 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.847 HD12 ' CD ' ' A' ' 101' ' ' LYS . 79.2 mt -109.64 107.91 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.97 117.71 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.76 126.95 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.992 ' HB3' HD21 ' A' ' 67' ' ' LEU . 65.8 ttp -110.71 140.85 44.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 4.7 t -125.31 100.59 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -68.24 -160.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.34 97.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 57.89 19.97 6.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -83.39 148.91 56.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.97 142.35 27.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CH2' ' HG2' ' A' ' 92' ' ' ARG . 58.1 m95 -45.63 119.76 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -119.75 111.89 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 54' ' ' ILE . 99.4 t -54.72 113.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 57' ' ' MET . 0.2 OUTLIER -86.8 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.24 110.3 21.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.83 25.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -102.64 99.56 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 68' ' ' LEU . 10.0 t -120.03 151.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 140.44 87.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -92.76 16.66 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.16 132.53 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 1.3 p -120.3 2.3 10.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -145.37 145.25 31.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 55' ' ' LEU . 7.9 p -145.24 156.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 86.0 m -110.04 136.37 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 91' ' ' PHE . 85.2 t -110.47 100.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -97.59 151.21 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.08 69.23 1.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.7 ' CD1' HD12 ' A' ' 36' ' ' ILE . 31.2 mt -119.94 157.68 28.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 37.3 t -86.41 136.53 35.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 139.73 24.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 115' ' ' GLU . . . 63.95 48.33 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -147.74 147.35 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -83.42 148.85 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.0 m-85 -145.32 125.97 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 57' ' ' MET . 39.7 mt-30 -115.02 136.12 53.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 80' ' ' VAL . 79.2 m-85 -119.45 159.61 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.632 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -178.05 116.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.4 pt? -116.31 166.1 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.4 p -128.76 175.49 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.46 129.81 45.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 69.4 t -127.13 119.76 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' ASP . 38.5 p-10 -132.96 172.06 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASN . 46.6 t0 -39.01 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' HB3' ' A' ' 15' ' ' ARG . 23.9 t -53.1 -64.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.91 37.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.847 ' CD ' HD12 ' A' ' 54' ' ' ILE . 5.3 ttpp -69.48 138.28 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.82 -112.67 3.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 4.2 pt20 -130.15 159.04 38.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 29.5 m-85 -98.23 156.26 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.6 p -78.86 157.93 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 1.1 mppt? -60.25 161.08 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -65.58 112.26 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 24' ' ' PRO . 55.4 p -50.79 -178.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.19 120.53 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.2 ttt180 -36.31 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.5 t -87.93 108.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -95.28 140.74 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -74.26 150.58 87.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 1.01 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.92 119.06 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.694 ' CG ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -56.02 92.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 p -39.33 103.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 56.99 168.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.22 29.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 p -150.04 154.24 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.84 103.51 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -137.28 135.79 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -139.19 146.88 41.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.26 178.68 22.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.66 128.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.06 -54.73 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.49 148.41 4.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -154.81 145.16 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.96 165.13 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.48 179.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 60.61 116.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.61 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 72.82 141.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -75.47 127.14 32.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.4 p -116.32 139.0 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.783 ' HG2' HG12 ' A' ' 99' ' ' VAL . 22.0 mtm-85 -57.95 83.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -93.27 153.39 18.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 99' ' ' VAL . 60.1 mt -69.76 148.85 96.69 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.99 -179.65 5.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -111.84 151.93 28.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 161.81 33.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.64 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.95 120.21 5.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.05 172.75 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.638 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 m-70 42.83 52.49 7.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.638 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.03 93.01 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.535 1.808 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 m -97.87 141.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.757 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.49 104.22 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -131.0 157.77 42.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.5 mt -55.69 172.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -86.34 -19.48 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p 45.24 25.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -155.92 -51.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -97.72 124.04 41.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.22 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.949 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER 53.85 46.31 26.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.764 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -140.18 139.91 35.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.626 HD11 HD23 ' A' ' 83' ' ' LEU . 51.3 mt -121.01 152.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.26 101.78 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -97.64 121.49 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -133.7 135.61 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.64 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -134.39 -174.0 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.467 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m -107.95 156.73 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 112.08 23.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.5 Cg_endo -74.91 175.8 10.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 5.2 t80 -88.98 124.62 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.8 p-10 -82.69 121.73 27.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -37.1 -63.48 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -173.95 34.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.25 154.09 29.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -43.62 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 97' ' ' ASN . 17.4 mt -114.0 -58.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -161.07 171.66 18.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.7 m-85 -133.59 128.48 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.892 HD12 ' NZ ' ' A' ' 101' ' ' LYS . 24.7 mt -91.52 103.15 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -92.41 111.79 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' HD22 ' A' ' 55' ' ' LEU . 12.2 mt-10 -104.8 128.84 53.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.534 ' HB2' HD12 ' A' ' 67' ' ' LEU . 56.8 ttp -101.12 147.86 25.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.0 t -124.25 101.01 6.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 50.5 tt0 -73.78 102.47 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 56.39 -93.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -115.35 19.48 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.13 148.9 84.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.57 29.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.479 1.779 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 65.9 m95 -43.47 111.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.3 t -109.82 118.93 37.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.55 100.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.0 mt -85.38 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.535 HD13 HG22 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -111.0 110.4 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.55 17.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.15 99.83 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 68' ' ' LEU . 11.2 t -117.86 151.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.97 130.29 91.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.12 18.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -98.98 18.51 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.86 138.53 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.2 p -115.11 -7.21 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 8.8 p -136.62 152.15 50.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 38' ' ' LEU . 5.9 p -144.4 156.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.447 HG22 ' HE2' ' A' ' 81' ' ' LYS . 87.8 m -115.8 119.23 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.805 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 41.6 t -96.51 103.59 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 18.7 mtmt -108.81 149.21 29.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.88 25.56 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -88.92 162.49 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.73 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.9 t -94.47 143.4 26.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.73 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.0 146.7 32.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 61.74 50.99 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -155.29 145.12 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 m -83.93 148.2 27.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 26.7 m-85 -145.63 129.46 17.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 47.1 mt-30 -108.33 163.08 13.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.805 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 14.0 m-85 -145.26 147.06 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -166.34 111.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.644 ' H ' HD23 ' A' ' 93' ' ' LEU . 1.8 pt? -116.9 156.38 27.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.618 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.9 p -121.32 174.36 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.33 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.62 HG22 ' HG3' ' A' ' 101' ' ' LYS . 45.9 t -125.42 123.86 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.568 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.6 p30 -131.42 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -53.99 -53.25 55.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.783 HG12 ' HG2' ' A' ' 15' ' ' ARG . 4.0 m -45.02 -42.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 156.37 -147.19 15.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.892 ' NZ ' HD12 ' A' ' 54' ' ' ILE . 1.1 ttmm -113.59 148.54 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.15 -110.2 2.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.792 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 2.9 pt20 -144.65 162.82 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 22.5 m-85 -93.14 156.89 16.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -82.5 146.62 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -46.28 167.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -74.19 113.75 11.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.846 HG21 HD21 ' A' ' 38' ' ' LEU . 11.3 p -47.57 174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -66.13 128.7 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.8 ttt180 -36.42 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.6 t -88.4 118.62 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -105.14 139.82 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.949 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -91.25 157.53 42.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.805 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 143.52 29.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.0 tt0 -64.1 158.23 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.3 t -169.1 -57.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 42.31 -153.99 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 62.94 5.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -122.11 81.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 145.09 34.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -140.84 -51.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -166.16 166.82 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.22 104.5 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -169.82 89.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.74 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.79 -166.3 37.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.42 101.89 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.777 . . . . 0.0 110.241 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -132.46 124.47 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.33 143.73 40.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -166.49 110.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.603 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp 62.64 145.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -72.85 138.57 46.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -120.54 156.41 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.3 78.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.528 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -93.03 170.61 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.8 mt -81.49 148.22 61.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.64 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 165.31 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.16 162.33 40.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 159.82 40.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -110.95 179.42 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 36.27 55.68 2.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.628 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.94 77.17 3.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.67 137.94 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.683 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -134.98 120.36 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -138.03 145.87 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 HG12 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -53.87 165.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.1 116.97 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 60.7 p -84.42 37.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 30' ' ' THR . 32.5 m -157.23 -45.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.76 139.54 38.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -85.57 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.676 ' HA ' HD21 ' A' ' 113' ' ' LEU . 43.2 mtm180 57.5 32.65 22.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -132.92 141.15 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 ' HE2' ' A' ' 91' ' ' PHE . 82.0 mt -113.55 141.73 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -102.55 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -100.13 135.12 42.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -141.23 125.03 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 1.003 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.4 p90 -138.17 169.81 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 m -100.19 155.81 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 112.83 33.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -82.38 125.81 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.6 p-10 -80.75 142.15 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.528 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -76.2 54.36 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.6 m120 60.81 35.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' N ' ' OD2' ' A' ' 45' ' ' ASP . 2.3 t -148.02 142.67 16.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.01 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.55 150.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.03 -48.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -163.11 -175.97 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.875 ' CD2' HD12 ' A' ' 93' ' ' LEU . 5.5 m-85 -138.2 128.0 25.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.901 HD12 ' HE2' ' A' ' 101' ' ' LYS . 57.9 mt -96.62 103.73 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD22 HG11 ' A' ' 78' ' ' VAL . 4.4 tp -92.44 126.39 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.87 ' OE2' HG22 ' A' ' 66' ' ' VAL . 6.7 mp0 -116.59 135.18 54.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.683 ' O ' HG22 ' A' ' 65' ' ' THR . 12.2 tmm? -112.05 142.87 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -125.07 99.14 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 tt0 -86.37 128.81 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 52.84 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLU . 6.7 m-20 -130.32 22.79 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 150.24 89.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.77 32.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.5 m95 -42.82 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 57' ' ' MET . 8.9 t -105.69 128.93 53.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.87 HG22 ' OE2' ' A' ' 56' ' ' GLU . 16.0 t -66.77 98.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 57' ' ' MET . 9.9 mt -75.31 -57.01 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -121.62 110.06 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.03 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.2 p -84.98 100.94 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 68' ' ' LEU . 66.7 t -124.62 148.49 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.09 137.83 89.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -34.88 3.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.01 -5.65 47.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.95 131.2 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -112.76 -1.69 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.4 p -138.72 157.26 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG11 HD22 ' A' ' 55' ' ' LEU . 5.1 p -152.19 154.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 93.0 m -118.87 127.8 53.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 ' CE1' ' A' ' 91' ' ' PHE . 58.7 t -100.63 104.92 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -96.2 138.5 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.04 75.3 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.657 ' CD1' HD12 ' A' ' 36' ' ' ILE . 77.4 mt -129.99 163.14 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.2 t -92.48 138.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.99 152.54 40.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 56.24 54.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -154.74 144.1 21.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.5 m -80.27 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CE1' HD22 ' A' ' 83' ' ' LEU . 22.8 m-85 -144.75 128.61 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 35.8 mt-30 -108.09 165.63 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE1' HG21 ' A' ' 80' ' ' VAL . 60.0 m-85 -152.6 142.39 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.86 109.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.003 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -109.42 154.53 22.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 9.4 p -118.94 175.4 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.42 124.19 47.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.846 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.9 t -123.94 120.42 59.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -128.03 179.55 5.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' VAL . 1.3 p30 -50.83 -39.27 52.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.403 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 4.8 t -59.76 -40.05 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.3 -155.58 26.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.901 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.7 ttmt -111.98 140.68 46.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -93.07 -115.75 2.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -124.31 172.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.429 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 5.8 m-85 -104.85 149.58 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 p -68.56 158.97 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.11 158.59 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 12.7 p30 -61.54 112.02 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 91' ' ' PHE . 33.5 p -50.45 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.3 tt0 -71.65 120.6 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.6 ttm-85 -35.97 102.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 26' ' ' ALA . 21.6 t -88.5 106.93 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -94.76 138.61 32.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -93.87 140.78 23.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.5 25.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.72 101.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.79 -60.64 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.23 159.89 26.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.153 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 85.24 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.3 p -129.78 106.92 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.9 p -100.74 112.76 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -176.47 133.69 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -93.63 167.43 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.53 -174.17 5.83 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -153.38 169.34 23.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.07 139.31 30.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.17 -120.23 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -159.23 155.41 26.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.3 p -95.59 162.89 13.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.98 148.41 44.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.98 -60.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.64 166.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 127.06 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -106.93 124.92 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.866 ' HG2' HG12 ' A' ' 99' ' ' VAL . 4.1 mtm-85 -60.08 82.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -92.46 142.61 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -68.08 148.39 98.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.95 141.25 26.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 43' ' ' PRO . 64.1 m170 -62.66 148.81 45.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.545 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.41 165.09 15.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 139.88 24.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.7 mt-10 -98.04 175.54 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 1.6 p-80 34.88 55.17 1.95 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.05 79.04 2.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -95.94 140.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -128.31 109.07 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -106.14 152.59 23.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -62.61 -179.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 m -118.37 73.22 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.5 p -45.7 -25.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -87.67 -61.06 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -68.29 143.95 55.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.963 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.4 mtp180 50.13 49.58 20.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 80' ' ' VAL . . . -144.66 148.94 34.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.493 HG12 HD23 ' A' ' 28' ' ' LEU . 37.9 mt -126.89 124.48 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' THR . 3.8 m-20 -83.75 106.89 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -85.04 132.74 34.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -136.69 132.02 34.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.65 ' CE2' HD11 ' A' ' 93' ' ' LEU . 43.9 p90 -146.23 -179.89 7.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.434 ' OG1' ' CE1' ' A' ' 23' ' ' HIS . 1.8 m -109.44 154.42 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -80.83 113.49 40.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.03 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.5 t80 -81.38 128.8 34.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.5 p-10 -75.72 128.04 34.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -45.73 -76.36 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.47 24.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.12 161.72 28.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.38 42.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.6 mt -70.91 151.18 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 97' ' ' ASN . 35.4 mt -116.18 -62.44 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 9.6 ptp180 -152.56 175.62 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.3 m-85 -136.89 125.12 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HE2' ' A' ' 101' ' ' LYS . 9.4 mt -91.76 103.32 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -92.2 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -101.98 125.82 48.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 65' ' ' THR . 55.9 ttp -102.82 142.34 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.2 t -125.19 107.94 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -77.59 -165.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 101.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.97 22.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.532 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -85.12 150.83 55.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.52 30.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.665 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 53.4 m95 -44.1 111.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 57' ' ' MET . 10.0 t -110.38 101.77 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 100.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD11 ' SD ' ' A' ' 57' ' ' MET . 10.0 mt -80.51 -52.63 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -112.93 109.76 19.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.16 -35.71 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -108.83 100.47 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.047 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 39.0 t -118.45 153.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -67.98 138.09 92.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -31.4 6.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.25 22.0 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -110.24 139.55 45.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 44.1 p -124.21 0.52 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -143.73 142.89 31.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -138.96 154.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 m -116.92 115.86 26.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 95.2 t -87.41 149.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -140.98 173.85 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.96 20.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 22.3 mt -109.7 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 85' ' ' PRO . 74.8 t -112.67 139.6 22.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.5 Cg_endo -75.0 145.3 31.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 60.4 50.36 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -150.17 144.1 25.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.4 m -80.21 150.46 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.8 m-85 -145.97 126.18 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -108.42 158.97 17.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.636 ' CD2' HD23 ' A' ' 38' ' ' LEU . 16.8 m-85 -142.77 147.83 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.665 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.01 104.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -110.96 152.36 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.6 p -117.67 174.29 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . . . -102.17 120.9 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 101' ' ' LYS . 87.7 t -118.09 132.01 69.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.559 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.7 p-10 -141.08 -175.15 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 62.5 t0 -50.47 -52.34 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.866 HG12 ' HG2' ' A' ' 15' ' ' ARG . 1.5 m -43.7 -51.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 160.15 -133.71 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE2' HD12 ' A' ' 54' ' ' ILE . 15.6 ttmt -129.78 135.23 48.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -94.12 -129.32 5.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.34 170.83 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 43.7 m-85 -100.09 179.81 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -99.33 153.55 18.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -49.18 163.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.06 113.74 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 24' ' ' PRO . 16.8 p -50.8 145.74 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.4 tt0 -48.05 128.64 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -37.26 103.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 109' ' ' GLU . 67.0 t -95.3 120.44 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p -106.27 142.51 35.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.72 156.77 49.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.561 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 134.84 18.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.711 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.31 130.38 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.449 ' N ' ' CD ' ' A' ' 115' ' ' GLU . 48.1 t -85.64 97.08 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 158.03 -147.57 15.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 84.01 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.2 t -135.47 100.54 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.9 t -59.27 115.08 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 19.8 mt -92.33 139.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.99 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.73 167.2 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -63.54 162.4 27.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 155.13 42.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -108.81 -178.59 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.602 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.88 54.13 3.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.86 139.52 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -132.12 115.48 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.95 151.38 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -60.26 173.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -104.11 96.62 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -70.32 58.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -178.01 -49.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.36 124.0 44.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -71.83 137.32 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.961 ' HA ' HD21 ' A' ' 113' ' ' LEU . 79.7 mtt180 61.33 45.79 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -146.08 139.13 25.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.607 HD13 HG11 ' A' ' 111' ' ' VAL . 65.3 mt -121.27 137.51 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -93.78 107.24 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.718 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -87.08 133.28 33.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 p -136.43 130.57 32.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.841 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.1 p90 -140.82 175.48 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 20.3 m -100.59 158.4 15.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -76.78 113.24 27.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.99 161.39 38.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.1 t80 -64.27 104.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.1 -64.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ASN . . . 108.79 58.89 0.54 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 1.4 m120 69.54 -53.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -91.63 150.24 40.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.77 41.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD13 ' OH ' ' A' ' 53' ' ' TYR . 9.6 mt -70.24 169.74 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -124.66 -55.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -157.94 175.8 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.66 ' OH ' HD13 ' A' ' 50' ' ' LEU . 12.4 m-85 -130.12 151.0 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 101' ' ' LYS . 42.4 mt -118.1 98.25 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -90.57 109.47 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HD22 ' A' ' 55' ' ' LEU . 14.0 mt-10 -102.23 130.04 48.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 59.5 ttp -101.25 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 t -124.83 101.33 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.642 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 tt0 -68.33 -167.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -55.09 96.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.01 27.08 15.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.46 148.2 38.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.35 31.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.3 m95 -47.92 114.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -114.25 117.1 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.23 101.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.9 mt -86.74 -63.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD22 HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.19 110.22 21.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.84 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -89.72 99.98 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 HD22 ' A' ' 68' ' ' LEU . 3.6 t -122.29 148.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.09 130.24 91.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.618 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.6 Cg_endo -74.94 -23.05 14.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -82.85 -8.42 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 140.48 29.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -118.41 1.71 11.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.8 p -144.17 147.09 33.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.9 p -141.89 156.56 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.0 m -116.48 120.78 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.3 t -92.27 107.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -98.17 156.47 16.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.17 76.79 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 95.2 mt -129.55 164.99 22.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.769 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 87' ' ' ARG . 9.9 t -91.85 132.59 32.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 142.88 28.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 66.05 46.41 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CD ' HG11 ' A' ' 84' ' ' VAL . 31.4 mtt180 -147.73 147.12 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -80.33 146.6 31.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 17.1 m-85 -144.29 129.0 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.49 151.88 27.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.915 ' CE1' HG21 ' A' ' 80' ' ' VAL . 11.0 m-85 -133.93 145.57 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.46 107.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -113.31 150.12 32.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLN . 20.7 p -114.63 175.34 5.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -105.58 127.77 53.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.9 t -121.19 129.99 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 49.4 p-10 -135.95 173.79 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -44.78 -47.07 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.3 t -52.51 -54.07 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 165.88 -159.74 33.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.8 ttmt -107.75 132.58 53.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.15 -111.0 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.767 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 3.9 pm0 -137.03 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 7.5 m-85 -98.02 150.29 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 163.17 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 160.97 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' PRO . 15.7 p -47.78 144.66 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -38.07 127.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.92 99.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 109' ' ' GLU . 16.1 t -92.7 130.87 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -120.87 140.78 51.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.78 156.29 55.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.767 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LEU . 22.1 mt -85.15 140.2 36.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 161.85 38.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 165.41 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.54 163.88 30.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 164.05 34.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -117.82 179.23 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 37.87 54.52 3.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.98 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.7 t -97.13 132.2 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.11 107.42 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -129.12 158.77 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.917 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.7 mt -47.29 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -28.88 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p 52.09 29.74 6.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 32' ' ' GLU . 34.3 m -150.56 -54.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.548 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.72 121.21 34.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -52.7 127.41 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.946 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.1 mmp_? 54.67 51.26 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -135.97 156.98 47.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' THR . 51.3 mt -132.82 147.82 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -95.02 103.31 15.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.706 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -86.73 128.17 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -139.29 125.89 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.6 p90 -139.2 168.82 18.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 m -93.86 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.71 112.31 23.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.94 176.13 10.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.626 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -86.36 127.68 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.626 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.3 p-10 -89.21 154.44 20.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -79.75 59.79 4.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 76.08 -45.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -89.47 151.07 45.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.69 14.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -51.16 153.13 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.58 -53.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -154.93 -178.42 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.638 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.8 m-85 -135.85 133.3 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.99 HD12 ' HE2' ' A' ' 101' ' ' LYS . 41.5 mt -96.82 100.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 93' ' ' LEU . 1.9 tp -89.3 118.76 29.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -110.62 124.26 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.7 ttp -100.86 136.58 40.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.7 t -124.9 101.07 6.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.652 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 tt0 -62.04 -147.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -71.43 96.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.66 12.14 7.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.652 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -73.76 146.87 86.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 146.89 32.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.6 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.5 m95 -48.92 112.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -112.39 115.27 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.07 101.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 67' ' ' LEU . 7.6 mt -85.22 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.26 110.24 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.04 17.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.56 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.7 t -125.76 152.81 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 135.8 88.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.05 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -88.52 11.1 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.85 136.32 43.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 74.6 p -120.53 0.71 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -139.91 151.91 45.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.706 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -154.25 154.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 32' ' ' GLU . 3.7 m -115.76 106.02 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 91' ' ' PHE . 92.8 t -73.45 150.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 14.4 mttm -135.7 -178.79 5.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.16 60.34 8.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 89' ' ' TYR . 87.8 mt -114.8 171.57 7.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.6 t -107.98 143.06 26.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 153.12 41.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 49.18 58.7 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -153.6 143.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.7 m -79.94 152.36 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.1 m-85 -145.94 142.7 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 20.1 mt-30 -130.52 127.21 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.986 ' CE1' HG21 ' A' ' 80' ' ' VAL . 45.4 m-85 -113.48 152.64 29.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.6 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -170.33 108.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.861 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.06 158.19 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.523 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 22.6 p -121.86 175.02 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.29 122.11 44.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.826 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.3 t -118.01 130.33 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' GLY . 47.3 p-10 -137.5 166.72 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -39.64 -48.48 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 99' ' ' VAL . 17.1 t -50.62 -50.39 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 161.02 -162.8 33.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.99 ' HE2' HD12 ' A' ' 54' ' ' ILE . 1.8 ttmt -105.33 143.97 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -95.5 -112.41 2.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -132.31 167.95 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 4.7 m-85 -100.97 153.53 19.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -70.27 162.52 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.56 158.84 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -59.59 112.38 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.906 HG22 ' HB2' ' A' ' 24' ' ' PRO . 43.9 p -53.22 160.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' VAL . 2.1 mt-10 -49.14 116.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 5.6 ttp180 -37.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 36' ' ' ILE . 5.2 p -92.07 124.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -107.11 143.75 34.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.946 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.76 156.91 47.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.917 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 146.89 33.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 7.0 tt0 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.768 ' C ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HG11 ' A' ' 99' ' ' VAL . 28.7 mt -57.65 141.64 79.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.67 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.7 158.74 25.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.754 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -67.73 164.83 36.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.59 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.99 140.96 26.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 170.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.5 m-70 47.47 50.36 8.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 106.45 2.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.551 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -114.05 152.05 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . . . -145.91 105.63 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 146.61 47.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.881 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.2 mt -48.85 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -102.55 93.97 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 p -74.87 55.89 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.68 -42.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -108.45 115.18 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -64.6 144.46 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.821 ' HA ' HD21 ' A' ' 113' ' ' LEU . 53.6 mtt180 57.76 34.79 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.61 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -133.95 161.41 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.68 HD12 ' CD2' ' A' ' 83' ' ' LEU . 90.1 mt -139.91 143.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.53 128.9 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 108' ' ' THR . 3.8 tp -123.56 137.34 54.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.5 127.37 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.834 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 41.3 p90 -130.24 178.43 6.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -101.65 156.52 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 111.29 16.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.6 t80 -98.54 125.27 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 50' ' ' LEU . 14.5 t0 -88.75 143.63 26.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.81 -67.25 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -170.77 32.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -143.68 157.67 58.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 123.31 7.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 45' ' ' ASP . 62.6 mt -43.33 146.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.7 mt -100.99 -57.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NH1' HG11 ' A' ' 96' ' ' VAL . 6.0 ptp85 -161.36 -178.41 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.5 m-85 -135.09 134.12 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CD ' ' A' ' 101' ' ' LYS . 63.2 mt -98.57 105.66 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.32 122.33 33.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -116.9 126.11 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.596 ' HB2' HD12 ' A' ' 67' ' ' LEU . 57.9 ttp -101.14 141.7 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 9.1 t -124.56 99.08 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.598 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.2 tt0 -62.63 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.29 92.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.18 18.77 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -82.04 148.41 60.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.04 144.56 30.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 66.1 m95 -49.4 108.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -107.49 119.01 38.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.84 100.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.5 mt -85.59 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.76 110.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.04 -35.84 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 100.62 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.4 149.46 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 136.13 87.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' NZ ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.99 -22.69 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' NZ ' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -91.1 9.51 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 129.86 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -112.38 -5.41 14.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 7.0 p -137.34 148.1 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.55 150.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 76.4 m -118.87 111.67 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 91' ' ' PHE . 12.0 t -81.85 149.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 10.9 mtmt -144.29 150.83 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.29 17.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.68 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.6 mp -81.6 157.74 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.23 132.82 29.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 115' ' ' GLU . . . 74.74 46.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -158.19 146.08 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 m -81.64 152.48 27.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 24.6 m-85 -145.47 136.3 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 79.2 mt-30 -123.71 127.95 48.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.2 m-85 -110.59 155.22 22.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -179.23 114.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.834 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.2 pt? -110.88 169.29 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 2.9 p -129.03 175.18 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.305 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.69 120.95 41.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.492 HG11 ' NH1' ' A' ' 52' ' ' ARG . 50.8 t -116.26 129.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 45' ' ' ASP . 44.5 p-10 -141.5 169.33 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 51' ' ' ILE . 13.3 t70 -40.65 -37.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.768 HG11 ' C ' ' A' ' 16' ' ' GLN . 37.8 t -58.09 -55.46 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.58 179.43 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.641 ' CD ' HD12 ' A' ' 54' ' ' ILE . 9.8 ttpp -68.86 141.77 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.11 -105.79 2.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.754 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -137.32 161.46 36.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.05 145.27 27.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -71.22 145.71 49.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.86 163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.521 ' OD1' ' CZ2' ' A' ' 64' ' ' TRP . 56.7 m-20 -79.29 109.69 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 HD11 ' A' ' 38' ' ' LEU . 32.3 p -44.52 154.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 mt-10 -43.77 130.01 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLU . 4.4 ttm-85 -38.04 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 109' ' ' GLU . 32.4 t -97.58 121.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -108.93 142.83 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.61 140.19 22.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.881 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.97 117.02 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 101' ' ' LYS . 90.9 mt -77.36 145.93 73.21 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.03 150.29 37.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.74 156.78 24.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.57 164.1 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 129.9 12.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -88.64 179.78 6.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.591 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.96 54.56 2.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 79.36 2.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -96.72 136.01 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.84 106.06 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.32 149.98 40.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -72.84 164.65 26.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.6 122.38 33.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.8 p -89.17 27.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 32' ' ' GLU . 24.4 m -146.07 -47.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -97.81 121.56 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -66.54 147.12 53.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 46.5 57.35 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -152.91 127.82 9.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.9 mt -110.69 140.28 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.53 103.65 15.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -87.42 133.31 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.5 p -145.28 126.3 14.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.956 ' CE2' HD11 ' A' ' 93' ' ' LEU . 29.9 p90 -133.23 179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -103.46 156.15 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 112.49 27.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 176.23 10.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 4.2 t80 -89.81 125.4 35.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.3 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.73 -63.62 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -171.34 32.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -154.89 154.89 29.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.53 11.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 ' HE1' ' A' ' 53' ' ' TYR . 83.9 mt -43.91 155.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 97' ' ' ASN . 16.9 mt -116.09 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -158.15 177.85 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.897 ' CD2' HD12 ' A' ' 93' ' ' LEU . 3.5 m-85 -132.81 134.91 45.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.561 HD12 ' CD ' ' A' ' 101' ' ' LYS . 28.3 mt -103.94 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.05 124.62 32.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 66' ' ' VAL . 1.8 mm-40 -112.68 120.58 42.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 36.1 ttp -102.29 139.52 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -124.73 114.39 19.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.5 tt0 -76.56 -146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -72.9 97.81 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.03 14.95 4.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.47 149.0 83.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.81 29.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 73.8 m95 -43.9 115.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -117.37 110.13 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 54.9 t -55.03 101.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.72 -61.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 71' ' ' VAL . 1.2 mt -109.18 114.21 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.0 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.81 102.45 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 68' ' ' LEU . 23.5 t -123.21 152.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 134.27 89.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.91 12.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.807 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -90.97 19.21 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.26 137.29 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.7 p -119.22 -0.08 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 10.5 p -142.03 150.54 41.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.5 p -147.98 156.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.431 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 33.9 m -113.75 132.28 55.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 54.3 t -109.89 100.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 79' ' ' THR . 7.2 mttp -105.77 143.13 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.89 -8.59 16.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -53.71 158.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 85' ' ' PRO . 81.2 t -100.28 142.94 25.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 140.55 25.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 71.82 46.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 37.6 mtt180 -151.26 146.95 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -89.59 145.94 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.595 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 74.0 m-85 -145.1 146.12 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.572 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 23.9 mt-30 -123.06 166.51 15.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 16.8 m-85 -149.79 145.73 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -170.64 104.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.956 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -100.57 168.0 9.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 15.7 p -134.14 174.12 10.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -102.36 134.99 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 55.4 t -134.87 131.22 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -139.01 -174.27 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.585 ' OD1' HG13 ' A' ' 99' ' ' VAL . 17.6 p-10 -53.04 -50.59 63.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.757 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -46.4 -51.44 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 153.26 -170.69 32.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.762 ' O ' HD22 ' A' ' 17' ' ' LEU . 3.5 ttpt -74.23 153.18 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.14 -101.06 2.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.723 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 1.2 pt20 -150.66 152.64 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 33.9 m-85 -87.05 172.46 9.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -98.19 162.93 12.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 163.58 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -68.55 113.45 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.5 p -53.9 146.96 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.7 tt0 -36.79 123.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.28 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' GLU . 39.1 t -89.51 116.74 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.09 150.06 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.977 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -84.89 151.43 57.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.977 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 2.6 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 3.1 pt20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 99' ' ' VAL . 33.8 mt -69.23 147.62 97.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.4 Cg_endo -74.92 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -123.6 158.09 32.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 104' ' ' PHE . . . -64.29 161.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.1 Cg_endo -74.99 119.99 5.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -82.28 172.47 13.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 43.8 51.77 8.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.02 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -108.21 151.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.51 105.84 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.3 156.61 36.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.827 HD11 ' HD3' ' A' ' 114' ' ' PRO . 2.3 mt -61.04 165.02 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 101.64 12.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p -74.58 -0.75 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -109.56 -35.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.5 mm-40 -116.31 138.71 51.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -83.86 141.37 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.975 ' HA ' HD21 ' A' ' 113' ' ' LEU . 2.0 mtp180 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -120.5 167.17 12.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.609 HG21 ' HE2' ' A' ' 91' ' ' PHE . 88.7 mt -140.44 139.3 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.62 134.16 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 108' ' ' THR . 2.1 tp -127.62 136.39 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -141.47 126.09 17.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.2 p90 -125.94 174.25 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 107.981 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -97.78 156.89 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.95 112.39 24.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -75.01 175.71 10.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.7 t80 -80.88 126.76 31.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.554 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 4.2 p-10 -81.06 137.5 36.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.83 53.74 4.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.7 t30 61.17 17.58 8.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -128.8 145.54 56.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -43.76 139.1 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 97' ' ' ASN . 10.5 mm -96.28 -59.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -162.17 -165.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -146.4 124.73 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.757 HG22 ' OE2' ' A' ' 56' ' ' GLU . 27.6 mt -92.37 103.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.39 121.98 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' OE2' HG22 ' A' ' 54' ' ' ILE . 1.6 mp0 -113.57 121.8 45.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 58' ' ' SER . 51.4 ttp -100.88 148.07 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.5 t -124.46 112.5 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.67 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 3.4 tt0 -78.5 97.75 5.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 55.11 -94.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.99 37.44 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -97.87 150.8 37.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.49 30.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 63.6 m95 -43.31 110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.8 114.13 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 70.4 t -55.47 101.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.4 -61.59 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -108.34 110.52 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' ARG . . . -90.63 -26.03 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.69 100.44 7.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 42.5 t -123.81 151.6 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.39 137.49 86.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.74 11.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.59 22.81 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.38 133.9 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -115.91 -2.24 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.6 p -139.67 150.18 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.57 157.1 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 38.6 m -124.92 121.99 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 ' CE1' ' A' ' 91' ' ' PHE . 39.6 t -93.47 141.29 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -134.33 150.64 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 30.54 7.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.599 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -86.03 -177.92 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 85' ' ' PRO . 86.3 t -119.63 141.8 31.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 140.72 25.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.752 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 67.84 47.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -152.02 140.55 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 m -81.83 148.69 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -145.33 131.09 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 57' ' ' MET . 43.7 mt-30 -109.24 153.99 23.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.863 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -139.23 141.84 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.0 113.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -112.27 164.56 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.555 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 9.3 p -128.85 172.54 11.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.18 124.79 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG22 ' HG3' ' A' ' 101' ' ' LYS . 32.7 t -125.38 127.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.542 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -133.6 -177.17 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.4 t70 -52.73 -52.51 56.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.613 HG23 HD23 ' A' ' 17' ' ' LEU . 7.4 m -44.75 -46.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 161.09 -152.71 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -103.96 151.47 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -109.67 -159.6 18.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.99 171.28 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 6.8 m-85 -106.51 175.22 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.7 p -101.21 149.57 23.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -54.36 159.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.407 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 3.1 p-10 -69.4 112.98 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.763 HG21 HD11 ' A' ' 38' ' ' LEU . 21.2 p -47.1 174.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -65.08 125.78 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.6 ttt180 -34.18 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 109' ' ' GLU . 51.9 t -87.86 118.35 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.1 p -107.19 142.34 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.975 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -90.74 156.13 45.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.827 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.04 138.4 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.752 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 6.0 tt0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 15.1 mt -92.13 143.05 26.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.94 128.17 11.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 164.17 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -64.81 165.02 16.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.1 mm-40 -102.46 177.82 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.589 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 36.96 55.19 3.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.93 79.72 2.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.1 t -97.95 147.44 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -141.73 124.53 16.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 141.66 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -47.88 172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -101.57 -18.23 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.5 p 45.78 25.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -141.14 -58.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.608 ' N ' HG12 ' A' ' 31' ' ' VAL . 3.8 mm-40 -81.62 138.14 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 16.4 mmt180 -56.85 128.93 39.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 1.001 ' HA ' HD21 ' A' ' 113' ' ' LEU . 4.2 mpp_? 37.43 56.78 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -130.35 141.35 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 91' ' ' PHE . 85.6 mt -117.35 145.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.69 114.53 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.658 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tp -100.1 145.65 27.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -149.71 123.74 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.874 ' CE2' HD11 ' A' ' 93' ' ' LEU . 47.5 p90 -133.18 174.07 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -102.19 155.95 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -79.39 113.4 36.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 175.39 11.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.3 t80 -85.48 128.86 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.8 p-10 -78.78 133.84 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.6 -33.73 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 167.99 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.97 160.58 32.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.76 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.765 HD13 ' OH ' ' A' ' 53' ' ' TYR . 75.4 mt -41.11 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' ASP . 17.1 mm -115.51 -60.38 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -158.35 -178.39 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.765 ' OH ' HD13 ' A' ' 50' ' ' LEU . 19.4 m-85 -137.06 138.08 40.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 28.0 mt -103.2 99.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.799 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.66 117.25 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 11.1 mt-10 -110.3 128.85 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 49.8 ttp -104.12 147.22 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.2 t -122.41 107.41 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.653 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 25.0 tt0 -75.46 96.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 56.29 -92.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -113.41 33.93 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -94.11 148.62 35.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.55 31.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 61.2 m95 -43.61 108.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -108.47 116.63 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.5 t -54.92 100.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HG13 ' A' ' 80' ' ' VAL . 12.9 tp -87.9 -57.77 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.83 109.98 19.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.98 -55.51 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.1 147.17 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 135.36 88.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.19 10.2 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -84.89 0.1 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.47 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.46 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 2.6 p -117.04 2.4 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p -145.02 150.25 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.799 HG11 HD12 ' A' ' 55' ' ' LEU . 4.0 p -145.86 156.02 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.7 m -123.69 110.56 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 91' ' ' PHE . 75.3 t -79.14 150.49 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 5.8 mttp -144.47 143.43 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 20.8 10.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -79.28 -178.61 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.747 HG13 ' HD2' ' A' ' 85' ' ' PRO . 57.3 t -123.45 143.96 42.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.747 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 145.02 30.9 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 64.63 50.09 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -154.03 142.36 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -83.21 146.79 28.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.562 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 44.2 m-85 -144.65 129.54 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 21.0 mt-30 -108.74 157.53 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.678 ' HE2' HG21 ' A' ' 36' ' ' ILE . 56.7 m-85 -143.13 143.04 31.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.08 109.01 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.8 pt? -107.3 160.85 15.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.5 p -122.63 174.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.05 121.26 44.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.717 HG22 ' HG2' ' A' ' 101' ' ' LYS . 12.0 t -120.29 134.93 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.3 p-10 -133.76 -171.92 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 51' ' ' ILE . 21.1 t0 -64.06 -24.06 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.6 t -69.52 -59.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.92 -169.05 40.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.717 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -87.39 118.97 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.447 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . . . -66.72 -119.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.607 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.4 pt20 -143.07 157.18 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -84.71 159.25 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -87.12 165.03 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -58.34 159.08 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.422 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -64.3 109.42 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' PRO . 10.8 p -52.35 152.57 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -46.16 114.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 109' ' ' GLU . 10.7 ttm-85 -34.83 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' GLU . 23.5 t -88.82 108.48 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -94.54 141.55 28.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.001 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -92.83 140.99 23.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.03 152.62 40.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 14.2 mt -75.25 137.78 71.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 164.42 9.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.36 164.76 17.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 143.82 29.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.4 mt-10 -99.7 179.66 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.575 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 35.76 55.45 2.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 134.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.42 113.84 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -123.48 152.34 41.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -55.03 -178.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.1 t -109.65 97.06 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p -76.34 54.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.14 -43.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.35 165.57 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -108.62 126.94 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.851 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER 63.8 51.19 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -149.52 157.85 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 27' ' ' THR . 23.6 mt -133.67 142.37 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.96 109.8 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.723 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.99 134.38 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.5 p -141.72 125.87 17.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.918 ' CE2' HD11 ' A' ' 93' ' ' LEU . 39.7 p90 -137.38 179.02 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.4 m -104.68 156.12 18.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -79.3 112.4 28.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.06 176.23 10.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.786 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' ' OE1' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -72.28 98.59 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' PHE . 8.6 p-10 -39.79 -44.47 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.527 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . 115.83 -42.25 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.18 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.52 159.0 30.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.6 mt -40.52 151.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 98' ' ' ASP . 17.2 mt -104.25 -57.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 54' ' ' ILE . 11.4 ptp180 -164.27 -177.24 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.683 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.1 m-85 -138.84 137.13 36.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.623 HD13 ' C ' ' A' ' 53' ' ' TYR . 4.7 mm -102.72 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -86.11 114.81 23.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -105.9 129.88 53.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' HD12 ' A' ' 67' ' ' LEU . 39.1 ttp -105.47 143.29 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.1 t -124.56 94.97 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.1 tt0 -58.67 -153.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -69.71 95.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.39 11.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -74.86 147.4 83.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 142.77 28.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 76.8 m95 -44.88 108.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -108.54 122.8 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.38 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -80.85 -66.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -107.87 110.46 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -87.14 -32.84 19.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.54 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -114.1 102.88 10.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 68' ' ' LEU . 49.2 t -123.73 153.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -68.79 140.72 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -91.71 33.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -120.98 125.2 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.506 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 15.3 p -113.77 15.53 18.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.5 p -155.51 148.8 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.662 HG12 ' HB3' ' A' ' 38' ' ' LEU . 7.6 p -148.07 155.19 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.7 m -117.18 108.92 16.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.749 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 68.8 t -75.71 147.93 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -140.05 -178.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.37 51.02 58.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -108.58 173.84 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' A' ' 85' ' ' PRO . 38.8 t -116.4 136.88 23.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.0 138.65 23.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.76 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 77.63 43.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -150.18 140.85 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.4 m -80.85 141.51 34.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 37.8 m-85 -138.67 138.88 38.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 46.1 mt-30 -115.97 164.22 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 17.4 m-85 -147.81 141.02 25.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.51 101.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.918 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -103.32 155.1 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.6 p -121.37 170.33 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -99.3 121.44 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.487 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 75.9 t -115.8 132.21 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 39.0 p-10 -142.52 167.19 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.552 ' N ' HD12 ' A' ' 51' ' ' ILE . 18.8 t0 -39.4 -37.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 44.5 t -56.38 -63.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.01 176.23 37.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 4.9 ttpt -68.85 127.92 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.58 -114.44 0.48 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.794 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -136.74 159.57 41.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.313 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 56' ' ' GLU . 47.1 m-85 -94.42 148.73 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -72.74 161.1 31.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -55.63 159.49 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.05 108.07 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' GLU . 11.4 p -46.28 140.75 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.811 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 tt0 -37.35 128.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -37.35 97.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 109' ' ' GLU . 58.3 t -92.11 123.89 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -114.12 142.4 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.06 157.62 50.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.654 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 133.61 16.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.76 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 23.9 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.644 HD23 HG23 ' A' ' 99' ' ' VAL . 74.7 mt -75.42 146.26 80.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.1 Cg_endo -75.02 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -100.26 156.29 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.63 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.812 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.72 162.61 34.75 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.01 119.64 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.7 mp0 -81.37 173.88 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.631 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 42.12 52.32 6.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.648 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -74.96 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -105.3 149.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.74 104.89 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -120.31 165.83 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.704 HD23 HG12 ' A' ' 36' ' ' ILE . 4.3 mt -76.95 171.58 14.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 49.3 m -103.66 116.8 33.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.597 ' O ' HG13 ' A' ' 31' ' ' VAL . 20.7 p -91.25 35.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 30' ' ' THR . 20.0 m -158.46 -44.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 1.3 mp0 -95.77 113.79 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -56.22 134.6 53.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.704 ' HA ' HD21 ' A' ' 113' ' ' LEU . 7.3 mmt-85 51.08 48.24 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -133.75 140.13 46.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' THR . 81.3 mt -119.8 141.6 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.3 m-20 -102.46 130.38 49.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -124.36 135.13 53.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -143.03 127.34 17.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 39.9 p90 -126.31 178.22 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -101.91 156.98 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.4 112.46 26.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.439 1.757 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -87.89 126.33 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.8 p-10 -77.31 131.63 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.29 -43.27 57.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -178.04 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 160.97 31.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.0 36.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.4 mt -65.21 138.27 58.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 97' ' ' ASN . 30.3 mt -96.1 -47.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.21 -168.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.647 ' HE1' HD13 ' A' ' 50' ' ' LEU . 9.6 m-85 -146.73 132.91 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.751 HD12 ' HE2' ' A' ' 101' ' ' LYS . 69.1 mt -92.82 100.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -90.7 118.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.683 ' N ' HD22 ' A' ' 55' ' ' LEU . 18.7 mt-10 -110.57 137.97 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 58' ' ' SER . 40.9 ttp -115.86 145.32 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 57' ' ' MET . 0.3 OUTLIER -122.04 118.58 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.64 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 32.5 tt0 -101.53 93.36 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 61' ' ' ASN . 14.7 m-80 55.46 112.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 60' ' ' ASN . 30.3 m-80 28.02 45.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.64 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -104.91 148.76 36.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 58.0 m95 -43.87 107.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -104.13 118.32 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.98 99.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 67' ' ' LEU . 6.4 mt -83.79 -59.2 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -110.62 109.5 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.9 -45.06 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.04 98.88 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -118.15 151.31 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 131.88 89.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.29 15.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -96.09 5.97 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.39 135.99 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.56 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -116.14 -2.43 12.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 6.9 p -139.66 153.23 47.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.06 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.38 157.4 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 89.2 m -118.94 135.73 54.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.016 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.0 t -108.43 102.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.36 155.37 16.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.76 74.6 0.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 61.9 mt -127.78 166.03 18.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.477 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.9 t -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.477 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 148.03 34.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB2' ' CA ' ' A' ' 115' ' ' GLU . . . 59.21 52.21 6.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -152.76 144.95 23.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 146.12 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 18.7 m-85 -145.05 125.43 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' MET . 31.4 mt-30 -108.08 156.27 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.016 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.6 m-85 -142.82 135.1 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.79 116.77 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -117.27 160.15 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.59 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 24.6 p -126.28 165.33 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.82 127.73 36.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.751 HG22 ' HG3' ' A' ' 101' ' ' LYS . 20.8 t -127.17 127.47 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -134.22 -175.3 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' HD12 ' A' ' 51' ' ' ILE . 23.2 t0 -49.65 -57.64 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.644 HG23 HD23 ' A' ' 17' ' ' LEU . 2.9 m -42.82 -50.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 162.32 -143.45 8.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.3 ttmt -118.01 145.07 45.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -94.32 -113.55 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.812 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.4 pm0 -129.03 169.26 14.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 59.8 m-85 -98.35 167.84 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 p -93.0 154.32 18.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -52.7 160.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -71.19 111.68 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 46.2 p -50.84 152.07 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.2 mt-10 -41.84 120.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -34.83 97.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.7 t -89.02 116.3 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 p -110.71 141.38 44.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -91.28 146.79 34.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.661 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.93 141.2 26.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.442 ' CA ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 HG23 ' A' ' 99' ' ' VAL . 84.7 mt -70.93 143.27 88.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.97 173.92 13.67 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -106.16 155.33 19.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.578 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -63.91 163.93 19.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 142.33 27.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.8 mt-10 -101.93 178.62 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.627 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 39.06 52.62 3.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.03 75.55 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.39 127.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.755 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -119.22 123.87 45.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -134.52 148.04 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.4 mt -52.57 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -14.28 19.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p 39.53 52.13 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER 177.37 -50.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -89.18 167.51 13.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.6 mtt180 -59.88 -139.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.881 ' HA ' HD21 ' A' ' 113' ' ' LEU . 1.9 mpt_? -66.36 58.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . -118.09 133.62 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' CD2' ' A' ' 83' ' ' LEU . 63.0 mt -117.08 135.71 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -92.01 111.02 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.755 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.57 135.85 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -140.33 123.69 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.907 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.9 p90 -135.03 176.11 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 m -103.59 154.89 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 113.48 39.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.04 175.98 10.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.5 t80 -88.13 128.69 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 2.6 p-10 -78.42 133.54 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.1 -44.62 42.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -173.57 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 158.29 37.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.0 34.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.529 1.805 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 53' ' ' TYR . 75.6 mt -58.62 145.26 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 98' ' ' ASP . 25.5 mt -105.02 -41.86 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' NH2' HG21 ' A' ' 51' ' ' ILE . 6.5 ptp85 -168.75 173.44 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 m-85 -128.06 136.4 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 40.3 mt -105.4 101.68 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 78' ' ' VAL . 6.8 tp -89.06 128.64 35.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -120.62 123.74 43.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 58' ' ' SER . 44.1 ttp -106.34 147.57 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.409 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.4 t -122.36 109.99 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.679 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 26.4 tt0 -77.38 92.18 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 58.67 -94.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -108.66 33.29 4.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.679 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -95.88 148.34 34.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 145.32 31.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 73.3 m95 -43.96 108.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.9 115.68 30.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.78 100.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -81.09 -57.04 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.38 111.13 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.32 -67.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 106.92 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 68' ' ' LEU . 12.3 t -120.18 153.32 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.27 127.66 92.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.08 11.5 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.86 138.09 50.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 2.0 p -115.5 4.31 14.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 5.3 p -145.38 148.3 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 55' ' ' LEU . 9.7 p -146.04 152.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.1 m -104.03 133.6 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 91' ' ' PHE . 86.2 t -108.15 101.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -99.3 168.94 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.75 46.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.792 ' HB3' HD13 ' A' ' 113' ' ' LEU . 2.9 mp -93.84 160.68 14.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 85' ' ' PRO . 64.1 t -102.23 139.27 20.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.4 27.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 69.65 48.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -153.81 144.84 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -80.73 146.94 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 21.8 m-85 -145.39 128.41 16.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -108.84 158.4 17.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.6 m-85 -141.82 136.57 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -158.72 107.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.907 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -105.59 160.05 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 21.0 p -125.22 174.15 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.43 127.46 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.841 HG22 ' HG3' ' A' ' 101' ' ' LYS . 12.5 t -127.28 130.43 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -135.27 -174.2 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.549 ' N ' HD12 ' A' ' 51' ' ' ILE . 36.9 t70 -54.79 -44.65 73.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.72 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -53.79 -42.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.11 -151.49 23.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' ' 96' ' ' VAL . 2.7 ttmt -112.65 142.52 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.92 -108.91 1.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.721 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -139.75 168.41 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 56' ' ' GLU . 8.2 m-85 -99.6 159.46 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 2.9 p -79.2 157.13 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 161.65 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.24 101.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.888 HG22 ' HB2' ' A' ' 24' ' ' PRO . 22.0 p -42.39 150.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -36.47 118.13 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -37.02 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 109' ' ' GLU . 85.3 t -93.27 135.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 t -126.23 141.83 51.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.881 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -86.15 156.19 57.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.816 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 152.51 40.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.723 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.2 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.829 HD23 HG23 ' A' ' 99' ' ' VAL . 33.6 mt -81.72 138.68 47.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.08 132.93 15.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -65.2 163.71 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.658 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -65.73 163.96 30.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 152.92 41.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.8 mt-10 -110.74 178.58 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.636 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 41.86 52.09 6.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.875 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.95 82.99 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.72 134.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.75 107.35 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -125.54 164.1 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.1 mt -59.05 165.04 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -94.39 111.12 22.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.4 p -84.37 11.63 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 32' ' ' GLU . 30.0 m -127.29 -49.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.466 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm-40 -104.13 130.98 51.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 mmt-85 -73.86 140.61 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.834 ' HA ' HD21 ' A' ' 113' ' ' LEU . 52.4 mtm180 61.96 29.6 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -124.35 169.54 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.754 HD13 HG11 ' A' ' 111' ' ' VAL . 68.1 mt -140.25 139.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 106.24 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.719 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -95.04 125.54 39.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -140.02 123.86 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.8 p90 -130.76 179.48 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' GLU . 7.8 m -103.13 158.75 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -76.6 113.28 27.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 148.84 35.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.8 t80 -66.63 129.18 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 6.2 p-10 -79.91 130.03 34.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.99 -35.27 48.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 174.36 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.9 157.89 35.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.48 31.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.19 145.49 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.8 -51.2 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -159.15 179.52 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 1.119 ' CD1' HD12 ' A' ' 93' ' ' LEU . 2.1 m-85 -133.48 137.19 45.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.826 HD12 ' HE2' ' A' ' 101' ' ' LYS . 10.5 mt -112.64 100.65 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 2.1 tp -88.64 117.06 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -105.03 118.0 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.4 ttp -101.3 141.95 33.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 t -124.77 107.51 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.706 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.6 tt0 -68.91 -162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.78 99.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.69 18.18 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -80.35 149.03 68.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.92 29.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.638 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.9 m95 -44.37 110.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -110.79 113.28 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.841 HG22 ' CD ' ' A' ' 56' ' ' GLU . 58.0 t -56.13 100.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 67' ' ' LEU . 3.6 mt -78.93 -65.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -107.88 110.16 21.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.51 -49.89 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.52 100.07 11.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 9.1 t -123.33 152.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.4 135.35 88.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.33 9.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 7.04 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.55 126.73 52.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.9 p -108.16 -1.14 20.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.554 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 6.1 t -141.71 164.42 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.719 HG12 ' HB3' ' A' ' 38' ' ' LEU . 3.8 p -158.84 154.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.9 m -116.41 108.39 15.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' A' ' 91' ' ' PHE . 79.2 t -79.12 145.24 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -135.18 167.16 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.58 68.95 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.31 168.14 11.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.8 t -95.15 130.74 31.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -74.98 147.48 34.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 115' ' ' GLU . . . 64.41 52.96 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -157.45 143.99 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -80.14 154.1 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 27.1 m-85 -145.08 139.74 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' MET . 45.2 mt-30 -127.47 127.43 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.1 m-85 -111.65 151.9 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.638 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -172.89 104.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.119 HD12 ' CD1' ' A' ' 53' ' ' TYR . 1.4 pt? -104.18 163.68 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 30.0 p -126.15 174.85 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.59 121.72 44.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.701 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.0 t -121.38 131.28 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 4.0 p-10 -138.76 -175.84 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -46.26 -59.73 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.829 HG23 HD23 ' A' ' 17' ' ' LEU . 2.3 m -40.91 -49.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 157.46 -145.8 12.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.826 ' HE2' HD12 ' A' ' 54' ' ' ILE . 20.5 ttmt -113.98 146.86 39.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.86 -110.78 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.658 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.2 pt20 -133.96 164.87 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 9.3 m-85 -95.08 167.5 11.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 p -88.1 161.95 17.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.09 157.65 21.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 25.7 p30 -59.61 109.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.875 HG22 ' HB2' ' A' ' 24' ' ' PRO . 40.9 p -52.0 155.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -39.8 111.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.47 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.754 HG11 HD13 ' A' ' 36' ' ' ILE . 1.7 p -90.64 133.42 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -118.13 141.45 48.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.834 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -88.17 157.49 50.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.689 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 145.1 30.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.805 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 7.3 tm-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 17' ' ' LEU . 14.7 mt -62.28 144.76 94.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.57 159.39 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.64 164.79 17.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.96 154.17 42.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.9 mt-10 -105.69 178.25 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.67 56.12 2.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.04 81.98 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.2 t -97.03 139.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.69 121.47 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.53 143.38 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -57.25 165.46 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.5 t -88.19 108.23 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.0 p -76.71 -0.07 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.31 -33.32 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . 3.1 mm-40 -114.33 151.92 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -92.36 150.88 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 45.98 35.56 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -132.44 133.58 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.792 HD12 ' CD1' ' A' ' 83' ' ' LEU . 54.1 mt -106.76 146.29 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.21 116.59 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 26' ' ' ALA . 2.1 tp -102.9 139.38 38.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -141.77 122.86 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.813 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.0 p90 -134.45 168.36 19.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m -96.06 156.61 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.73 113.33 34.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.17 11.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.8 t80 -91.7 125.7 36.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.9 p30 -87.59 139.28 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -36.16 -71.77 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.68 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.99 159.41 37.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 123.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' OH ' ' A' ' 53' ' ' TYR . 7.1 mt -40.08 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.1 mt -111.03 -52.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -166.22 175.71 8.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.643 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.6 m-85 -133.95 135.25 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.809 HD12 ' HE2' ' A' ' 101' ' ' LYS . 56.5 mt -97.69 99.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 120.36 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.81 129.79 55.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 63.2 ttp -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 t -124.99 104.75 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.623 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.3 tt0 -71.28 -151.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 88' ' ' SER . 3.4 m-20 -66.47 95.68 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.15 13.0 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -75.6 147.24 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.09 29.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.26 108.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -106.55 115.49 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.24 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 80' ' ' VAL . 15.9 tp -82.31 -55.64 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -117.62 110.49 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.33 -32.81 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.525 ' O ' HD22 ' A' ' 68' ' ' LEU . 42.7 t -111.1 101.32 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 69.7 t -120.66 148.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.94 88.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.22 16.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -91.15 -2.87 57.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.92 127.99 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.5 p -111.94 0.17 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -143.05 150.62 39.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 38' ' ' LEU . 4.1 p -143.58 157.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 41.9 m -120.83 136.89 54.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.838 HG21 ' CE1' ' A' ' 91' ' ' PHE . 49.0 t -113.87 101.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.65 164.17 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.5 69.65 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 36' ' ' ILE . 18.2 mt -118.99 154.37 33.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 24.8 t -91.12 135.63 28.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 144.97 31.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 65.54 49.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -148.63 144.96 27.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.411 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.44 143.33 33.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 30.4 m-85 -143.9 134.03 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 7.3 mm-40 -126.14 164.68 20.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' HG21 ' A' ' 80' ' ' VAL . 86.1 m-85 -149.6 154.91 39.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 ptt180 -172.35 110.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.1 pt? -110.11 155.85 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 13.5 p -119.69 175.56 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.51 122.43 44.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 101' ' ' LYS . 26.4 t -119.61 124.86 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 44.6 p-10 -135.9 170.89 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HD12 ' A' ' 51' ' ' ILE . 29.4 t0 -40.67 -54.47 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.0 t -46.35 -47.99 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 156.8 -159.78 29.83 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 96' ' ' VAL . 23.2 ttmt -107.01 141.7 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.799 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.34 -106.25 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -137.32 169.8 17.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 6.4 m-85 -100.9 145.12 29.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -64.16 155.22 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.48 162.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.1 p-10 -65.61 113.17 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 38' ' ' LEU . 12.6 p -54.05 146.92 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.0 OUTLIER -37.36 110.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.3 ttt180 -30.6 97.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.5 t -88.04 113.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 t -101.0 142.27 32.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.0 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.2 OUTLIER -77.18 136.56 65.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 1.0 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.02 129.91 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 15.0 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 17' ' ' LEU . 11.3 mt -93.26 140.89 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.95 165.66 30.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -105.57 159.48 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' C ' ' A' ' 103' ' ' GLN . . . -65.28 164.39 24.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 153.48 41.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 23' ' ' HIS . 10.6 mt-10 -106.48 176.09 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.733 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 33.03 56.47 1.37 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.586 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.95 81.67 2.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.62 143.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.717 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -136.17 106.66 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -107.29 145.98 32.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.733 HD23 HG12 ' A' ' 36' ' ' ILE . 6.5 mt -56.38 177.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -121.19 66.01 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 p -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 32' ' ' GLU . 16.1 m -75.28 -52.62 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.9 mm-40 -98.46 121.7 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt-85 -71.38 129.06 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.846 ' HA ' HD21 ' A' ' 113' ' ' LEU . 45.3 mtm-85 70.81 39.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -138.39 160.39 39.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.733 HG12 HD23 ' A' ' 28' ' ' LEU . 67.4 mt -140.11 132.24 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' THR . 13.3 m-20 -88.77 105.51 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.717 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.89 131.84 34.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.6 p -137.65 128.88 27.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.77 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.6 p90 -143.97 175.95 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.5 m -103.67 155.76 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 112.99 32.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.7 t80 -85.74 128.37 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -86.39 153.25 22.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 47' ' ' ASN . . . -82.19 69.75 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.1 t-20 75.4 -51.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -88.15 146.51 38.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.29 12.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.73 149.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.42 -52.47 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -155.4 -173.51 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 93' ' ' LEU . 11.1 m-85 -138.49 137.88 37.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.653 HD12 ' HE2' ' A' ' 101' ' ' LYS . 22.3 mt -105.43 99.11 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.62 116.42 26.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -113.38 136.54 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.555 ' O ' HG22 ' A' ' 65' ' ' THR . 7.0 tmm? -110.63 147.44 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 13.3 t -126.6 89.05 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -62.92 -168.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 62' ' ' ALA . 1.9 m-80 -41.84 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.72 29.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.06 147.17 36.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 141.3 26.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.0 m95 -44.22 119.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 57' ' ' MET . 3.2 t -116.31 128.82 55.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.56 100.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 80' ' ' VAL . 12.7 tp -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.68 109.95 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.41 -61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 100.04 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.04 147.72 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.56 137.6 88.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.27 3.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -78.89 -2.59 40.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.99 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.459 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 17.2 p -121.29 8.17 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -150.16 146.18 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 38' ' ' LEU . 6.0 p -148.3 153.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -119.01 114.09 21.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 67' ' ' LEU . 48.1 t -85.83 149.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.08 158.73 43.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.65 22.66 38.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.564 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.1 mp -81.63 160.15 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.37 135.7 23.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.49 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.95 143.6 29.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 70.63 47.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -155.57 149.81 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.12 150.18 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.2 m-85 -145.56 119.66 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 57' ' ' MET . 82.4 mt-30 -109.12 128.32 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.434 ' HZ ' HD21 ' A' ' 83' ' ' LEU . 25.8 m-85 -111.84 152.4 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.65 ' NH1' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -168.95 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.05 161.72 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.524 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 20.5 p -125.68 175.11 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.43 121.58 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 101' ' ' LYS . 25.3 t -115.44 132.63 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 46.7 p-10 -138.92 165.71 26.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' ASN . 56.5 t0 -39.38 -47.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 16' ' ' GLN . 21.2 t -50.58 -61.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.25 -172.44 41.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -70.14 146.46 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.2 -109.32 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.701 ' C ' ' HB2' ' A' ' 20' ' ' ALA . 1.5 mt-30 -131.84 156.63 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CD2' ' NH1' ' A' ' 92' ' ' ARG . 39.2 m-85 -100.56 143.36 30.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 p -75.6 149.09 38.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 162.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -67.99 115.45 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 24' ' ' PRO . 17.9 p -49.26 145.08 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -38.04 127.43 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.5 OUTLIER -38.06 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 109' ' ' GLU . 53.8 t -88.26 119.51 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 136.21 46.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.846 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -92.87 140.73 23.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.576 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 149.09 36.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.475 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.07 148.37 51.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 64.2 m170 -98.23 147.49 24.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.2 164.21 19.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -75.05 120.65 6.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 4.7 mt-10 -86.98 175.73 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 38.58 52.55 3.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.605 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.88 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.1 Cg_endo -74.97 77.82 3.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 23' ' ' HIS . 2.0 t -97.2 128.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -115.36 121.47 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -117.62 149.16 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 36' ' ' ILE . 4.0 mt -66.46 177.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -109.99 99.57 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -74.62 -6.03 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 32' ' ' GLU . 20.3 m -108.92 -51.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.0 tm-20 -96.5 123.89 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -71.79 140.07 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.757 ' HA ' HD21 ' A' ' 113' ' ' LEU . 81.0 mtt180 59.71 39.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -134.97 151.34 50.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.726 HG12 HD23 ' A' ' 28' ' ' LEU . 68.6 mt -132.31 125.86 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' THR . 9.7 m-20 -92.48 114.9 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 26' ' ' ALA . 1.5 tp -94.1 145.62 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -147.06 121.19 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.84 ' CE2' HD11 ' A' ' 93' ' ' LEU . 45.2 p90 -129.42 -175.76 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.056 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 m -106.09 155.26 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 112.83 34.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 175.85 10.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 38.1 t80 -86.84 152.17 22.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 2.6 p-10 -97.39 126.24 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -53.56 -40.01 61.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 6.4 m-80 -178.31 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.71 158.8 35.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.41 42.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.51 136.07 54.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.57 -52.37 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 0.2 OUTLIER -165.68 -169.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -142.81 144.61 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 71.2 mt -107.96 99.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.861 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.8 120.08 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 4.0 mt-10 -112.52 123.24 49.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 ttp -103.6 138.12 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.94 118.62 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 16.8 tt0 -133.06 137.46 46.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 63.84 69.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ASN . 21.8 m-80 36.19 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . -90.9 150.34 41.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.45 34.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 67.7 m95 -43.06 109.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -104.22 114.73 29.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.36 100.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -86.66 -59.59 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.791 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.01 109.82 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.51 -40.89 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 22.6 t -101.56 100.34 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.791 HG22 HD13 ' A' ' 68' ' ' LEU . 55.6 t -121.59 152.36 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -70.3 138.12 86.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.86 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -86.53 9.83 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -97.56 138.22 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.482 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 11.6 p -122.64 4.46 9.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.0 p -148.72 144.29 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.861 HG11 HD12 ' A' ' 55' ' ' LEU . 9.8 p -141.59 156.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 54.9 m -113.6 137.07 52.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.938 HG21 ' CE1' ' A' ' 91' ' ' PHE . 64.2 t -110.64 101.37 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -94.37 164.21 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 83' ' ' LEU . . . 68.28 70.33 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.667 HD22 ' CE1' ' A' ' 89' ' ' TYR . 43.1 mt -123.56 167.54 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 76.2 t -101.92 130.53 24.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.01 141.32 26.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 74.95 45.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -153.41 150.11 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 m -79.68 149.17 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.667 ' CE1' HD22 ' A' ' 83' ' ' LEU . 11.4 m-85 -145.78 128.28 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 37.2 mt-30 -113.97 161.87 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -149.35 142.7 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -164.08 112.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.2 pt? -113.43 152.98 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 7.5 p -115.62 173.72 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 114.53 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.788 HG22 ' HG3' ' A' ' 101' ' ' LYS . 54.9 t -111.88 130.24 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 2.4 p-10 -140.43 176.57 8.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' ASN . 22.8 t70 -39.91 -58.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.616 HG23 ' CD1' ' A' ' 17' ' ' LEU . 1.8 m -40.97 -50.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.57 -134.14 3.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.788 ' HG3' HG22 ' A' ' 96' ' ' VAL . 3.2 ttmt -128.81 136.37 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -91.8 -118.48 2.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 pt20 -116.0 173.56 6.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.3 m-85 -107.81 168.67 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.9 p -89.03 141.07 28.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.86 158.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 16.2 p30 -56.96 119.91 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.88 HG22 ' HB2' ' A' ' 24' ' ' PRO . 26.9 p -62.3 155.5 24.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 mt-10 -39.16 112.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -35.0 99.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 109' ' ' GLU . 79.8 t -95.6 122.75 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 t -112.72 142.25 45.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.89 142.58 29.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.544 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 10.6 tp-100 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.35 147.66 57.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 55.4 m170 -94.25 147.76 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 162.93 24.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.49 ' CG ' ' O ' ' A' ' 93' ' ' LEU . 18.2 Cg_endo -75.03 130.62 13.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.4 mt-10 -96.19 178.08 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 39.91 52.08 4.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.564 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.754 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.01 82.7 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -95.95 125.75 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.721 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -126.08 106.93 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -126.67 152.7 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.904 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.8 mt -45.19 169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.87 -26.64 15.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p 48.49 22.28 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 32' ' ' GLU . 27.7 m -140.4 -55.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.5 tm-20 -95.02 125.89 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -55.45 126.93 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.859 ' HA ' HD21 ' A' ' 113' ' ' LEU . 5.7 mmt-85 55.92 55.17 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -141.24 148.61 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 HD21 ' A' ' 83' ' ' LEU . 79.1 mt -126.27 142.54 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.73 105.26 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.723 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -90.62 128.23 36.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -138.99 131.63 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.945 ' CE2' HD11 ' A' ' 93' ' ' LEU . 36.1 p90 -140.28 -175.31 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 m -109.69 155.91 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -80.49 112.8 34.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 176.06 10.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 48.8 t80 -83.31 158.96 22.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.557 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 4.5 p-10 -102.7 124.98 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -54.88 -31.09 54.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 4.5 m-20 171.36 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.63 155.03 38.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 135.67 19.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.701 HD13 ' OH ' ' A' ' 53' ' ' TYR . 88.6 mt -49.6 139.41 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 mt -104.71 -54.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -162.37 -178.23 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.701 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -136.59 142.17 43.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 66.4 mt -105.01 98.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 93' ' ' LEU . 1.2 tm? -87.59 107.7 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HD22 ' A' ' 55' ' ' LEU . 19.4 mt-10 -102.41 123.03 45.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 67' ' ' LEU . 57.2 ttp -100.89 146.26 27.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.99 106.93 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.624 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.3 tt0 -69.68 -167.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -54.11 100.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 56.11 22.73 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -87.01 148.79 46.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.26 32.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.33 114.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.1 t -114.72 113.84 24.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.6 100.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.72 -62.37 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -109.7 109.68 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.11 -46.9 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.72 100.74 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 70.9 t -122.82 145.57 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.92 137.72 87.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.36 9.28 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.73 -22.32 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.78 126.16 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -109.08 2.56 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.6 p -144.24 152.5 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.3 p -145.92 156.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -118.47 106.46 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.024 HG21 ' CE1' ' A' ' 91' ' ' PHE . 95.8 t -75.24 153.37 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -143.9 166.72 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.97 30.9 58.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' A' ' 113' ' ' LEU . 1.1 mp -84.34 175.53 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 72.6 t -115.42 143.19 29.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 145.56 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 57.69 50.1 11.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -147.23 140.79 25.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 m -80.0 145.27 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 36.4 m-85 -144.0 128.25 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 34.7 mt-30 -110.35 146.48 35.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.024 ' CE1' HG21 ' A' ' 80' ' ' VAL . 50.5 m-85 -128.89 146.57 50.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -168.58 105.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.0 pt? -109.05 156.18 20.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.608 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 28.7 p -121.17 174.83 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 118.75 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 101' ' ' LYS . 41.0 t -114.85 124.21 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.2 p-10 -129.43 -175.07 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -49.02 -53.2 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.624 HG23 ' CD1' ' A' ' 17' ' ' LEU . 2.0 m -45.08 -50.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.85 -134.71 3.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -128.22 137.55 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -95.18 -117.1 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.608 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 1.6 pt20 -118.92 166.81 12.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 4.7 m-85 -98.12 -176.26 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 5.1 p -98.5 149.56 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.97 157.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.421 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -62.92 105.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.754 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.0 p -47.91 145.23 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.5 tt0 -36.5 121.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.8 ttt180 -37.9 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.8 t -90.76 133.49 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.3 t -122.48 139.45 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.21 157.15 51.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.904 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 149.93 37.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.595 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.5 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' HG21 ' A' ' 99' ' ' VAL . 2.1 pt20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG23 ' A' ' 99' ' ' VAL . 53.7 mt -67.26 145.78 98.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.31 153.1 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.21 162.15 34.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.616 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -92.46 169.43 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.3 m-70 45.61 51.05 8.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -98.02 142.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.85 104.84 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -126.31 155.33 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.5 mt -77.81 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.26 115.17 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -82.87 9.57 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.51 -44.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.4 tm-20 -101.86 135.92 42.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -78.04 148.67 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 44.28 48.53 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -144.01 132.92 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' CD1' ' A' ' 83' ' ' LEU . 96.2 mt -112.88 151.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.36 118.42 32.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -113.27 137.78 50.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.19 125.54 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -125.98 177.8 6.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 61.2 m -102.01 156.55 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.63 111.65 19.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.1 10.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -82.07 126.97 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.7 p-10 -84.23 140.54 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.75 53.5 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.81 22.69 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.67 141.55 40.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.52 5.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 ' OH ' ' A' ' 53' ' ' TYR . 77.3 mt -43.27 148.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' C ' ' A' ' 97' ' ' ASN . 42.6 mt -111.95 -58.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -160.11 172.26 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 14.1 m-85 -132.64 129.65 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.86 HD12 ' HE2' ' A' ' 101' ' ' LYS . 74.9 mt -90.9 99.6 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -87.6 114.73 24.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' HD22 ' A' ' 55' ' ' LEU . 27.5 mt-10 -109.89 135.48 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.705 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 tmm? -112.25 148.32 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.594 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 45.8 t -125.61 88.97 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.591 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.0 tt0 -60.86 -152.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ALA . 13.0 m-20 -62.09 105.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.9 24.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -86.37 146.49 42.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.02 145.27 31.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.613 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 75.2 m95 -43.68 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 57' ' ' MET . 4.4 t -108.73 133.26 53.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.68 100.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.2 mt -80.92 -55.32 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.6 109.21 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.64 -69.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 100.16 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 6.0 t -114.45 152.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.72 131.75 91.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.07 12.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -93.59 14.74 17.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.67 141.45 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 1.1 p -119.94 -2.38 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.8 p -142.03 149.33 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 68' ' ' LEU . 9.9 p -141.84 157.21 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 53.6 m -114.04 130.67 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.091 HG21 ' CE1' ' A' ' 91' ' ' PHE . 41.9 t -106.4 100.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -100.46 162.17 13.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.93 56.62 5.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.0 mt -108.14 157.4 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 85' ' ' PRO . 95.8 t -86.75 141.47 33.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.94 28.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.724 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 58.67 50.04 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -147.51 141.25 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -80.49 147.4 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 83' ' ' LEU . 29.6 m-85 -144.55 130.73 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.74 170.29 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.091 ' CE1' HG21 ' A' ' 80' ' ' VAL . 72.1 m-85 -152.87 143.16 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -166.21 103.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.752 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.7 pt? -107.18 158.02 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 30.7 p -124.32 174.3 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.74 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 101' ' ' LYS . 43.0 t -122.97 122.59 66.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.58 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.9 p-10 -132.37 -177.42 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 51' ' ' ILE . 50.2 t0 -51.07 -54.41 25.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.686 HG23 HD23 ' A' ' 17' ' ' LEU . 4.4 m -44.47 -42.36 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.02 -148.0 18.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.148 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE2' HD12 ' A' ' 54' ' ' ILE . 12.3 ttmt -113.12 150.97 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -100.0 -119.02 4.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -131.99 161.89 32.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.249 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -91.59 146.47 23.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 p -71.33 155.76 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.64 165.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 3.5 p-10 -72.56 109.15 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 38' ' ' LEU . 24.8 p -54.6 150.83 8.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -38.79 119.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -38.71 114.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 26' ' ' ALA . 3.3 t -95.54 125.61 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.2 p -106.16 137.62 43.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.047 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -79.22 148.57 71.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 1.047 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.0 122.67 7.35 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 5.3 tm-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.826 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.6 tp-100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG23 ' A' ' 99' ' ' VAL . 18.9 mt -82.6 144.82 49.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.99 -178.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -119.22 157.7 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 103' ' ' GLN . . . -63.75 163.21 22.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.5 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' HIS . 3.5 mt-10 -97.38 178.25 5.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.23 54.54 3.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.831 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.99 79.8 2.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -95.96 122.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -121.26 106.0 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 146.55 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 36' ' ' ILE . 3.3 mt -65.53 170.2 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' ALA . 32.8 p -85.76 119.38 26.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.0 p -86.82 14.24 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 32' ' ' GLU . 14.6 m -137.82 -52.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.6 mm-40 -84.95 160.98 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -101.54 139.79 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 51.92 47.57 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -142.53 130.03 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.771 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.2 mt -111.25 136.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 104.24 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.82 127.2 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 p -138.91 127.34 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.684 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.1 p90 -136.47 -177.05 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -108.91 156.07 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.52 113.5 37.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.02 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.9 t80 -84.12 128.55 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 11.1 p-10 -81.54 129.27 34.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -44.68 -45.15 8.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -178.81 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -93.44 160.23 33.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.17 40.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 53' ' ' TYR . 21.7 mt -71.61 139.94 49.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.88 -53.75 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -151.41 167.52 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.698 ' CE1' HD13 ' A' ' 50' ' ' LEU . 1.6 m-85 -127.32 128.95 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 101' ' ' LYS . 60.0 mt -95.08 126.7 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD13 ' C ' ' A' ' 55' ' ' LEU . 1.2 tm? -116.95 117.88 30.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -108.22 123.03 48.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 67' ' ' LEU . 56.2 ttp -103.12 145.74 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -124.62 115.1 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.71 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 tt0 -87.77 94.0 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 30.8 m-20 62.86 -97.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 16.47 22.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -74.82 150.25 86.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 143.66 29.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 70.6 m95 -43.12 108.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 65' ' ' THR . 2.2 t -110.11 105.63 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 1.1 p -54.84 101.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 67' ' ' LEU . 9.9 mt -81.0 -50.71 9.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.822 HD13 HG21 ' A' ' 78' ' ' VAL . 1.1 mt -112.01 110.42 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.75 -60.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.91 102.04 14.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG22 HD22 ' A' ' 68' ' ' LEU . 53.2 t -118.42 153.68 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 132.28 92.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.09 20.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.774 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -101.17 7.72 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.97 142.93 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.532 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -123.58 3.0 8.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.541 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 3.1 p -146.88 156.47 43.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.822 HG21 HD13 ' A' ' 68' ' ' LEU . 5.4 p -153.17 156.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.8 m -113.18 134.97 54.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 91' ' ' PHE . 20.1 t -114.2 107.15 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.72 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 14.5 mtmt -109.8 150.21 28.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.44 10.41 36.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.771 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -67.36 157.41 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 85' ' ' PRO . 84.8 t -91.36 142.59 27.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 144.05 29.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.883 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 61.94 47.44 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -148.79 149.94 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 55.2 m-85 -144.35 131.1 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -110.2 149.41 30.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.8 m-85 -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.581 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -165.93 105.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.0 pt? -112.76 153.54 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.526 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 13.8 p -120.62 175.81 5.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 50' ' ' LEU . . . -103.19 140.56 37.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 101' ' ' LYS . 13.8 t -137.33 132.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.705 ' CG ' HG22 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -134.62 -175.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.493 ' OD1' HG13 ' A' ' 99' ' ' VAL . 5.0 p-10 -60.72 -33.75 73.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.826 HG21 ' O ' ' A' ' 16' ' ' GLN . 4.3 m -63.39 -37.43 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 152.36 -149.43 21.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.617 ' HE2' HD12 ' A' ' 54' ' ' ILE . 22.6 ttmt -119.85 153.93 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -105.2 -130.19 6.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.711 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -119.21 158.2 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 18.9 m-85 -88.6 162.05 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -82.14 155.13 25.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.86 157.48 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 2.7 p30 -59.04 109.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.831 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.4 p -52.69 150.49 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -37.81 124.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 36' ' ' ILE . 6.7 t -93.66 124.29 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -107.04 140.65 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -79.55 151.02 74.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.01 115.33 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.883 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 17' ' ' LEU . 16.5 mt -59.24 140.11 87.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -99.13 171.83 7.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -74.51 163.76 65.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 153.81 41.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.8 mt-10 -105.15 179.26 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.34 56.22 2.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.99 80.3 2.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.64 144.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -140.32 110.95 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -119.83 153.79 35.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD23 ' CG1' ' A' ' 36' ' ' ILE . 2.6 mt -75.01 170.31 16.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 75.2 m -92.55 122.53 35.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.1 p -91.33 25.48 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -150.22 -48.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 1.5 mm-40 -90.4 122.52 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -68.97 134.15 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 57.24 51.08 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -145.63 132.22 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.7 HD12 ' CD1' ' A' ' 83' ' ' LEU . 94.9 mt -114.45 141.76 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.0 m-20 -104.55 105.7 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.638 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 tp -87.98 140.72 29.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.8 p -143.62 122.35 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.4 p90 -134.14 171.43 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 m -94.47 159.09 15.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' NZ ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.89 113.39 26.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.1 152.54 40.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -64.48 153.23 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.0 p-10 -115.28 120.67 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -35.38 -49.52 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 170.47 38.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.17 155.79 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.08 118.79 5.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 33.6 mt -39.42 145.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -99.27 -55.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -164.5 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' A' ' 93' ' ' LEU . 19.8 m-85 -141.0 149.97 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.847 HD12 ' CD ' ' A' ' 101' ' ' LYS . 79.2 mt -109.64 107.91 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.97 117.71 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.76 126.95 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.992 ' HB3' HD21 ' A' ' 67' ' ' LEU . 65.8 ttp -110.71 140.85 44.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 4.7 t -125.31 100.59 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -68.24 -160.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.34 97.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 57.89 19.97 6.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -83.39 148.91 56.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.97 142.35 27.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CH2' ' HG2' ' A' ' 92' ' ' ARG . 58.1 m95 -45.63 119.76 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -119.75 111.89 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 54' ' ' ILE . 99.4 t -54.72 113.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 57' ' ' MET . 0.2 OUTLIER -86.8 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.24 110.3 21.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.83 25.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -102.64 99.56 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 68' ' ' LEU . 10.0 t -120.03 151.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 140.44 87.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -92.76 16.66 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.16 132.53 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 1.3 p -120.3 2.3 10.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -145.37 145.25 31.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 55' ' ' LEU . 7.9 p -145.24 156.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 86.0 m -110.04 136.37 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 91' ' ' PHE . 85.2 t -110.47 100.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -97.59 151.21 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.08 69.23 1.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.7 ' CD1' HD12 ' A' ' 36' ' ' ILE . 31.2 mt -119.94 157.68 28.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 37.3 t -86.41 136.53 35.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 139.73 24.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 115' ' ' GLU . . . 63.95 48.33 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -147.74 147.35 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -83.42 148.85 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.0 m-85 -145.32 125.97 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 57' ' ' MET . 39.7 mt-30 -115.02 136.12 53.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 80' ' ' VAL . 79.2 m-85 -119.45 159.61 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.632 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -178.05 116.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.4 pt? -116.31 166.1 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.4 p -128.76 175.49 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.46 129.81 45.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 69.4 t -127.13 119.76 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' ASP . 38.5 p-10 -132.96 172.06 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASN . 46.6 t0 -39.01 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 t -53.1 -64.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.91 37.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.847 ' CD ' HD12 ' A' ' 54' ' ' ILE . 5.3 ttpp -69.48 138.28 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.82 -112.67 3.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 4.2 pt20 -130.15 159.04 38.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 29.5 m-85 -98.23 156.26 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.6 p -78.86 157.93 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 1.1 mppt? -60.25 161.08 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -65.58 112.26 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 24' ' ' PRO . 55.4 p -50.79 -178.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.19 120.53 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.2 ttt180 -36.31 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.5 t -87.93 108.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -95.28 140.74 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -74.26 150.58 87.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 1.01 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.92 119.06 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.694 ' CG ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 99' ' ' VAL . 60.1 mt -69.76 148.85 96.69 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.99 -179.65 5.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -111.84 151.93 28.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 161.81 33.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.64 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.95 120.21 5.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.05 172.75 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.638 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 m-70 42.83 52.49 7.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.638 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.03 93.01 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.535 1.808 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 m -97.87 141.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.757 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.49 104.22 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -131.0 157.77 42.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.5 mt -55.69 172.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -86.34 -19.48 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p 45.24 25.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -155.92 -51.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -97.72 124.04 41.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.22 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.949 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER 53.85 46.31 26.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.764 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -140.18 139.91 35.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.626 HD11 HD23 ' A' ' 83' ' ' LEU . 51.3 mt -121.01 152.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.26 101.78 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -97.64 121.49 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -133.7 135.61 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.64 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -134.39 -174.0 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.467 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m -107.95 156.73 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 112.08 23.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.5 Cg_endo -74.91 175.8 10.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 5.2 t80 -88.98 124.62 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.8 p-10 -82.69 121.73 27.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -37.1 -63.48 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -173.95 34.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.25 154.09 29.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -43.62 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 97' ' ' ASN . 17.4 mt -114.0 -58.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -161.07 171.66 18.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.7 m-85 -133.59 128.48 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.892 HD12 ' NZ ' ' A' ' 101' ' ' LYS . 24.7 mt -91.52 103.15 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -92.41 111.79 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' HD22 ' A' ' 55' ' ' LEU . 12.2 mt-10 -104.8 128.84 53.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.534 ' HB2' HD12 ' A' ' 67' ' ' LEU . 56.8 ttp -101.12 147.86 25.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.0 t -124.25 101.01 6.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 50.5 tt0 -73.78 102.47 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 56.39 -93.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -115.35 19.48 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.13 148.9 84.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.57 29.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.479 1.779 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 65.9 m95 -43.47 111.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.3 t -109.82 118.93 37.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.55 100.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.0 mt -85.38 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.535 HD13 HG22 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -111.0 110.4 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.55 17.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.15 99.83 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 68' ' ' LEU . 11.2 t -117.86 151.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.97 130.29 91.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.12 18.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -98.98 18.51 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.86 138.53 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.2 p -115.11 -7.21 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 8.8 p -136.62 152.15 50.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 38' ' ' LEU . 5.9 p -144.4 156.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.447 HG22 ' HE2' ' A' ' 81' ' ' LYS . 87.8 m -115.8 119.23 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.805 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 41.6 t -96.51 103.59 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 18.7 mtmt -108.81 149.21 29.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.88 25.56 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -88.92 162.49 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.73 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.9 t -94.47 143.4 26.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.73 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.0 146.7 32.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 61.74 50.99 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -155.29 145.12 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 m -83.93 148.2 27.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 26.7 m-85 -145.63 129.46 17.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 47.1 mt-30 -108.33 163.08 13.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.805 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 14.0 m-85 -145.26 147.06 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -166.34 111.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.644 ' H ' HD23 ' A' ' 93' ' ' LEU . 1.8 pt? -116.9 156.38 27.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.618 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.9 p -121.32 174.36 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.33 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.62 HG22 ' HG3' ' A' ' 101' ' ' LYS . 45.9 t -125.42 123.86 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.568 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.6 p30 -131.42 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -53.99 -53.25 55.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.681 HG23 HD23 ' A' ' 17' ' ' LEU . 4.0 m -45.02 -42.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 156.37 -147.19 15.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.892 ' NZ ' HD12 ' A' ' 54' ' ' ILE . 1.1 ttmm -113.59 148.54 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.15 -110.2 2.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.792 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -144.65 162.82 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.277 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 22.5 m-85 -93.14 156.89 16.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -82.5 146.62 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -46.28 167.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -74.19 113.75 11.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.846 HG21 HD21 ' A' ' 38' ' ' LEU . 11.3 p -47.57 174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -66.13 128.7 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.8 ttt180 -36.42 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.6 t -88.4 118.62 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -105.14 139.82 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.949 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -91.25 157.53 42.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.805 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 143.52 29.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.0 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.528 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.8 mt -81.49 148.22 61.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.64 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 165.31 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.16 162.33 40.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 159.82 40.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -110.95 179.42 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 36.27 55.68 2.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.628 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.94 77.17 3.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.67 137.94 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.683 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -134.98 120.36 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -138.03 145.87 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 HG12 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -53.87 165.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.1 116.97 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 60.7 p -84.42 37.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 30' ' ' THR . 32.5 m -157.23 -45.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.76 139.54 38.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -85.57 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.676 ' HA ' HD21 ' A' ' 113' ' ' LEU . 43.2 mtm180 57.5 32.65 22.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -132.92 141.15 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 ' HE2' ' A' ' 91' ' ' PHE . 82.0 mt -113.55 141.73 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -102.55 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -100.13 135.12 42.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -141.23 125.03 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 1.003 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.4 p90 -138.17 169.81 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 m -100.19 155.81 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 112.83 33.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -82.38 125.81 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.6 p-10 -80.75 142.15 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.528 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -76.2 54.36 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.81 35.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' N ' ' OD2' ' A' ' 45' ' ' ASP . 2.3 t -148.02 142.67 16.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.01 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.55 150.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.03 -48.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -163.11 -175.97 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.875 ' CD2' HD12 ' A' ' 93' ' ' LEU . 5.5 m-85 -138.2 128.0 25.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.901 HD12 ' HE2' ' A' ' 101' ' ' LYS . 57.9 mt -96.62 103.73 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD22 HG11 ' A' ' 78' ' ' VAL . 4.4 tp -92.44 126.39 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.87 ' OE2' HG22 ' A' ' 66' ' ' VAL . 6.7 mp0 -116.59 135.18 54.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.683 ' O ' HG22 ' A' ' 65' ' ' THR . 12.2 tmm? -112.05 142.87 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -125.07 99.14 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 tt0 -86.37 128.81 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 52.84 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLU . 6.7 m-20 -130.32 22.79 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 150.24 89.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.77 32.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.5 m95 -42.82 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 57' ' ' MET . 8.9 t -105.69 128.93 53.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.87 HG22 ' OE2' ' A' ' 56' ' ' GLU . 16.0 t -66.77 98.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 57' ' ' MET . 9.9 mt -75.31 -57.01 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -121.62 110.06 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.03 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.2 p -84.98 100.94 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 68' ' ' LEU . 66.7 t -124.62 148.49 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.09 137.83 89.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -34.88 3.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.01 -5.65 47.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.95 131.2 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -112.76 -1.69 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.4 p -138.72 157.26 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG11 HD22 ' A' ' 55' ' ' LEU . 5.1 p -152.19 154.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 93.0 m -118.87 127.8 53.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 ' CE1' ' A' ' 91' ' ' PHE . 58.7 t -100.63 104.92 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -96.2 138.5 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.04 75.3 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.657 ' CD1' HD12 ' A' ' 36' ' ' ILE . 77.4 mt -129.99 163.14 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.2 t -92.48 138.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.99 152.54 40.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 56.24 54.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -154.74 144.1 21.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.5 m -80.27 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CE1' HD22 ' A' ' 83' ' ' LEU . 22.8 m-85 -144.75 128.61 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 35.8 mt-30 -108.09 165.63 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE1' HG21 ' A' ' 80' ' ' VAL . 60.0 m-85 -152.6 142.39 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.86 109.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.003 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -109.42 154.53 22.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 9.4 p -118.94 175.4 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.42 124.19 47.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.846 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.9 t -123.94 120.42 59.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -128.03 179.55 5.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' VAL . 1.3 p30 -50.83 -39.27 52.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.403 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 4.8 t -59.76 -40.05 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.3 -155.58 26.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.901 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.7 ttmt -111.98 140.68 46.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -93.07 -115.75 2.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -124.31 172.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.429 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 5.8 m-85 -104.85 149.58 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 p -68.56 158.97 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.11 158.59 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 12.7 p30 -61.54 112.02 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 91' ' ' PHE . 33.5 p -50.45 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.3 tt0 -71.65 120.6 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.6 ttm-85 -35.97 102.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 26' ' ' ALA . 21.6 t -88.5 106.93 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -94.76 138.61 32.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -93.87 140.78 23.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.5 25.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -68.08 148.39 98.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.95 141.25 26.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 43' ' ' PRO . 64.1 m170 -62.66 148.81 45.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.545 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.41 165.09 15.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 139.88 24.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.7 mt-10 -98.04 175.54 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 34.88 55.17 1.95 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.05 79.04 2.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -95.94 140.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -128.31 109.07 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -106.14 152.59 23.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -62.61 -179.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 m -118.37 73.22 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.5 p -45.7 -25.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -87.67 -61.06 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -68.29 143.95 55.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.963 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.4 mtp180 50.13 49.58 20.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 80' ' ' VAL . . . -144.66 148.94 34.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.493 HG12 HD23 ' A' ' 28' ' ' LEU . 37.9 mt -126.89 124.48 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' THR . 3.8 m-20 -83.75 106.89 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -85.04 132.74 34.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -136.69 132.02 34.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.65 ' CE2' HD11 ' A' ' 93' ' ' LEU . 43.9 p90 -146.23 -179.89 7.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.598 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.8 m -109.44 154.42 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -80.83 113.49 40.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.03 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.5 t80 -81.38 128.8 34.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.5 p-10 -75.72 128.04 34.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -45.73 -76.36 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.47 24.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.12 161.72 28.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.38 42.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.6 mt -70.91 151.18 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 97' ' ' ASN . 35.4 mt -116.18 -62.44 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 9.6 ptp180 -152.56 175.62 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.3 m-85 -136.89 125.12 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HE2' ' A' ' 101' ' ' LYS . 9.4 mt -91.76 103.32 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -92.2 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -101.98 125.82 48.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 65' ' ' THR . 55.9 ttp -102.82 142.34 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.2 t -125.19 107.94 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -77.59 -165.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 101.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.97 22.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.532 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -85.12 150.83 55.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.52 30.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.665 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 53.4 m95 -44.1 111.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 57' ' ' MET . 10.0 t -110.38 101.77 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 100.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD11 ' SD ' ' A' ' 57' ' ' MET . 10.0 mt -80.51 -52.63 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -112.93 109.76 19.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.16 -35.71 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -108.83 100.47 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.047 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 39.0 t -118.45 153.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -67.98 138.09 92.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -31.4 6.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.25 22.0 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -110.24 139.55 45.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 44.1 p -124.21 0.52 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -143.73 142.89 31.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -138.96 154.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 m -116.92 115.86 26.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 95.2 t -87.41 149.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -140.98 173.85 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.96 20.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 22.3 mt -109.7 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 85' ' ' PRO . 74.8 t -112.67 139.6 22.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.5 Cg_endo -75.0 145.3 31.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 60.4 50.36 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -150.17 144.1 25.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.4 m -80.21 150.46 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.8 m-85 -145.97 126.18 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -108.42 158.97 17.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.636 ' CD2' HD23 ' A' ' 38' ' ' LEU . 16.8 m-85 -142.77 147.83 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.665 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.01 104.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -110.96 152.36 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.6 p -117.67 174.29 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . . . -102.17 120.9 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 101' ' ' LYS . 87.7 t -118.09 132.01 69.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.559 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.7 p-10 -141.08 -175.15 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 62.5 t0 -50.47 -52.34 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 17' ' ' LEU . 1.5 m -43.7 -51.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 160.15 -133.71 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE2' HD12 ' A' ' 54' ' ' ILE . 15.6 ttmt -129.78 135.23 48.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -94.12 -129.32 5.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.34 170.83 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 43.7 m-85 -100.09 179.81 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -99.33 153.55 18.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -49.18 163.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.06 113.74 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 24' ' ' PRO . 16.8 p -50.8 145.74 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.4 tt0 -48.05 128.64 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -37.26 103.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 109' ' ' GLU . 67.0 t -95.3 120.44 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p -106.27 142.51 35.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.72 156.77 49.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.561 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 134.84 18.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.711 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -176.8 -57.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -50.16 144.5 7.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.89 153.01 22.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.84 163.6 38.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -137.94 -59.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.54 -117.46 0.52 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.113 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 -57.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.45 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.37 110.23 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -177.73 122.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.607 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.95 172.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -46.96 154.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.2 p -92.11 125.16 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.679 ' CD ' HG22 ' A' ' 99' ' ' VAL . 1.4 mtt180 -81.91 95.01 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' HG13 ' A' ' 14' ' ' VAL . 1.1 tp-100 -91.89 155.36 18.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 19.8 mt -92.33 139.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.99 117.69 5.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.73 167.2 4.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -63.54 162.4 27.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 155.13 42.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -108.81 -178.59 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.602 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.88 54.13 3.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 74.24 4.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.802 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.86 139.52 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.718 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -132.12 115.48 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -122.95 151.38 41.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -60.26 173.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -104.11 96.62 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.3 p -70.32 58.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -178.01 -49.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.36 124.0 44.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -71.83 137.32 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.961 ' HA ' HD21 ' A' ' 113' ' ' LEU . 79.7 mtt180 61.33 45.79 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -146.08 139.13 25.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.607 HD13 HG11 ' A' ' 111' ' ' VAL . 65.3 mt -121.27 137.51 54.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -93.78 107.24 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.718 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -87.08 133.28 33.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.7 p -136.43 130.57 32.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.841 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.1 p90 -140.82 175.48 9.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 20.3 m -100.59 158.4 15.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -76.78 113.24 27.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.99 161.39 38.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.1 t80 -64.27 104.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.1 -64.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ASN . . . 108.79 58.89 0.54 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 1.4 m120 69.54 -53.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -91.63 150.24 40.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.77 41.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD13 ' OH ' ' A' ' 53' ' ' TYR . 9.6 mt -70.24 169.74 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 mt -124.66 -55.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -157.94 175.8 13.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.66 ' OH ' HD13 ' A' ' 50' ' ' LEU . 12.4 m-85 -130.12 151.0 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 101' ' ' LYS . 42.4 mt -118.1 98.25 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.2 tm? -90.57 109.47 20.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HD22 ' A' ' 55' ' ' LEU . 14.0 mt-10 -102.23 130.04 48.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 59.5 ttp -101.25 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 t -124.83 101.33 7.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.642 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.2 tt0 -68.33 -167.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -55.09 96.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 59.01 27.08 15.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.642 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.46 148.2 38.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.35 31.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.483 1.78 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.3 m95 -47.92 114.93 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -114.25 117.1 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.23 101.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.9 mt -86.74 -63.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD22 HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.19 110.22 21.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.84 3.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -89.72 99.98 12.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 HD22 ' A' ' 68' ' ' LEU . 3.6 t -122.29 148.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.09 130.24 91.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.618 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.6 Cg_endo -74.94 -23.05 14.3 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -82.85 -8.42 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.76 140.48 29.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.438 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -118.41 1.71 11.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.8 p -144.17 147.09 33.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.9 p -141.89 156.56 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.0 m -116.48 120.78 39.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.3 t -92.27 107.87 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -98.17 156.47 16.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.17 76.79 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.586 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 95.2 mt -129.55 164.99 22.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.769 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 87' ' ' ARG . 9.9 t -91.85 132.59 32.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.491 ' CG ' ' OG ' ' A' ' 116' ' ' SER . 18.3 Cg_endo -75.02 142.88 28.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 66.05 46.41 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' CD ' HG11 ' A' ' 84' ' ' VAL . 31.4 mtt180 -147.73 147.12 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -80.33 146.6 31.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 17.1 m-85 -144.29 129.0 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.49 151.88 27.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.915 ' CE1' HG21 ' A' ' 80' ' ' VAL . 11.0 m-85 -133.93 145.57 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.46 107.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -113.31 150.12 32.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLN . 20.7 p -114.63 175.34 5.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -105.58 127.77 53.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.9 t -121.19 129.99 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 49.4 p-10 -135.95 173.79 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -44.78 -47.07 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG22 ' CD ' ' A' ' 15' ' ' ARG . 24.3 t -52.51 -54.07 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 165.88 -159.74 33.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.8 ttmt -107.75 132.58 53.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.15 -111.0 0.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.767 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 3.9 pm0 -137.03 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 7.5 m-85 -98.02 150.29 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 163.17 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 160.97 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.8 109.73 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' PRO . 15.7 p -47.78 144.66 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -38.07 127.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.92 99.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 109' ' ' GLU . 16.1 t -92.7 130.87 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 m -120.87 140.78 51.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.78 156.29 55.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.767 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tt0 -66.39 141.91 57.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' A' ' 85' ' ' PRO . 69.5 p -124.89 116.84 22.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.74 -158.12 24.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.63 41.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.86 116.98 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -111.04 119.65 39.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.006 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.56 170.99 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -148.31 126.01 11.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.38 -85.86 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m 62.15 110.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.974 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.67 145.12 38.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.84 -72.71 1.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.06 165.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -106.58 146.88 30.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.18 162.35 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.31 -172.55 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.544 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt 60.08 -177.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.06 112.03 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 p -100.15 126.72 53.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -84.71 94.14 8.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.247 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -105.39 178.56 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 17' ' ' LEU . 22.1 mt -85.15 140.2 36.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 161.85 38.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 165.41 11.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.54 163.88 30.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 164.05 34.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.3 mt-10 -117.82 179.23 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 37.87 54.52 3.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.599 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.98 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.7 t -97.13 132.2 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.11 107.42 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -129.12 158.77 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.917 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.7 mt -47.29 173.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -28.88 11.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p 52.09 29.74 6.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 32' ' ' GLU . 34.3 m -150.56 -54.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.548 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.72 121.21 34.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -52.7 127.41 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.946 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.1 mmp_? 54.67 51.26 14.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -135.97 156.98 47.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 27' ' ' THR . 51.3 mt -132.82 147.82 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -95.02 103.31 15.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.706 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -86.73 128.17 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -139.29 125.89 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.6 p90 -139.2 168.82 18.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 m -93.86 157.06 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.71 112.31 23.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.94 176.13 10.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.626 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -86.36 127.68 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.626 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.3 p-10 -89.21 154.44 20.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -79.75 59.79 4.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 76.08 -45.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -89.47 151.07 45.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.69 14.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -51.16 153.13 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.58 -53.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -154.93 -178.42 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.638 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.8 m-85 -135.85 133.3 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.99 HD12 ' HE2' ' A' ' 101' ' ' LYS . 41.5 mt -96.82 100.17 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 93' ' ' LEU . 1.9 tp -89.3 118.76 29.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -110.62 124.26 51.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.7 ttp -100.86 136.58 40.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.7 t -124.9 101.07 6.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.652 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.9 tt0 -62.04 -147.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -71.43 96.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.66 12.14 7.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.652 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -73.76 146.87 86.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 146.89 32.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.6 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.5 m95 -48.92 112.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -112.39 115.27 28.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.07 101.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 67' ' ' LEU . 7.6 mt -85.22 -62.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -108.26 110.24 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.04 17.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.86 100.56 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 20.7 t -125.76 152.81 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 135.8 88.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.05 7.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -88.52 11.1 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.85 136.32 43.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 74.6 p -120.53 0.71 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -139.91 151.91 45.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.706 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -154.25 154.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.428 HG21 ' OE1' ' A' ' 32' ' ' GLU . 3.7 m -115.76 106.02 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 91' ' ' PHE . 92.8 t -73.45 150.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.241 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 14.4 mttm -135.7 -178.79 5.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.16 60.34 8.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 89' ' ' TYR . 87.8 mt -114.8 171.57 7.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.6 t -107.98 143.06 26.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 153.12 41.53 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 49.18 58.7 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -153.6 143.63 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.7 m -79.94 152.36 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.1 m-85 -145.94 142.7 28.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 20.1 mt-30 -130.52 127.21 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.986 ' CE1' HG21 ' A' ' 80' ' ' VAL . 45.4 m-85 -113.48 152.64 29.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.6 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -170.33 108.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.861 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.06 158.19 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.523 ' SG ' ' CZ ' ' A' ' 104' ' ' PHE . 22.6 p -121.86 175.02 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.29 122.11 44.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.826 HG22 ' HG3' ' A' ' 101' ' ' LYS . 21.3 t -118.01 130.33 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' GLY . 47.3 p-10 -137.5 166.72 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -39.64 -48.48 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 99' ' ' VAL . 17.1 t -50.62 -50.39 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 161.02 -162.8 33.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.99 ' HE2' HD12 ' A' ' 54' ' ' ILE . 1.8 ttmt -105.33 143.97 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -95.5 -112.41 2.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -132.31 167.95 18.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.523 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 4.7 m-85 -100.97 153.53 19.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -70.27 162.52 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.56 158.84 23.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -59.59 112.38 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.906 HG22 ' HB2' ' A' ' 24' ' ' PRO . 43.9 p -53.22 160.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' VAL . 2.1 mt-10 -49.14 116.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 109' ' ' GLU . 5.6 ttp180 -37.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 36' ' ' ILE . 5.2 p -92.07 124.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 t -107.11 143.75 34.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.946 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.76 156.91 47.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.917 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 146.89 33.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 7.0 tt0 -63.05 147.83 49.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -167.93 127.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 71.92 -178.58 36.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -48.45 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.6 t 48.93 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.52 125.33 31.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m 59.85 91.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.943 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -50.71 166.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 164.22 23.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -89.22 -57.22 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.51 -55.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.33 85.21 1.84 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.48 159.39 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -119.43 90.5 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.51 -62.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -57.54 154.75 10.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.68 108.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 106.93 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p -110.59 127.32 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -76.23 87.89 3.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.768 ' C ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -101.59 171.77 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HG11 ' A' ' 99' ' ' VAL . 28.7 mt -57.65 141.64 79.03 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.67 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.7 158.74 25.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.754 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -67.73 164.83 36.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.59 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.99 140.96 26.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 170.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.5 m-70 47.47 50.36 8.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.99 106.45 2.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.551 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -114.05 152.05 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . . . -145.91 105.63 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 146.61 47.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.881 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.2 mt -48.85 173.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -102.55 93.97 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 p -74.87 55.89 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.68 -42.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -108.45 115.18 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -64.6 144.46 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.821 ' HA ' HD21 ' A' ' 113' ' ' LEU . 53.6 mtt180 57.76 34.79 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.61 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -133.95 161.41 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.68 HD12 ' CD2' ' A' ' 83' ' ' LEU . 90.1 mt -139.91 143.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -101.53 128.9 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 108' ' ' THR . 3.8 tp -123.56 137.34 54.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.5 127.37 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.423 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.834 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 41.3 p90 -130.24 178.43 6.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.481 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -101.65 156.52 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 111.29 16.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.6 t80 -98.54 125.27 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.746 ' OD2' HD23 ' A' ' 50' ' ' LEU . 14.5 t0 -88.75 143.63 26.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.81 -67.25 0.43 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -170.77 32.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -143.68 157.67 58.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.0 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 123.31 7.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.746 HD23 ' OD2' ' A' ' 45' ' ' ASP . 62.6 mt -43.33 146.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.7 mt -100.99 -57.92 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' NH1' HG11 ' A' ' 96' ' ' VAL . 6.0 ptp85 -161.36 -178.41 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' HD12 ' A' ' 93' ' ' LEU . 12.5 m-85 -135.09 134.12 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CD ' ' A' ' 101' ' ' LYS . 63.2 mt -98.57 105.66 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.32 122.33 33.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -116.9 126.11 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.596 ' HB2' HD12 ' A' ' 67' ' ' LEU . 57.9 ttp -101.14 141.7 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 9.1 t -124.56 99.08 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.598 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.2 tt0 -62.63 -153.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.29 92.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.18 18.77 10.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -82.04 148.41 60.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.04 144.56 30.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 66.1 m95 -49.4 108.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -107.49 119.01 38.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.84 100.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 57' ' ' MET . 6.5 mt -85.59 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.76 110.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -92.04 -35.84 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.8 100.62 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.8 t -126.4 149.46 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 136.13 87.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' NZ ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.99 -22.69 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' NZ ' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -91.1 9.51 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 129.86 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -112.38 -5.41 14.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 7.0 p -137.34 148.1 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.9 p -143.55 150.19 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 76.4 m -118.87 111.67 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 91' ' ' PHE . 12.0 t -81.85 149.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 10.9 mtmt -144.29 150.83 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 26.29 17.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.68 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.6 mp -81.6 157.74 24.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.23 132.82 29.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.239 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 115' ' ' GLU . . . 74.74 46.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -158.19 146.08 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 m -81.64 152.48 27.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.598 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 24.6 m-85 -145.47 136.3 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 79.2 mt-30 -123.71 127.95 48.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.2 m-85 -110.59 155.22 22.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -179.23 114.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.834 HD11 ' CZ2' ' A' ' 40' ' ' TRP . 1.2 pt? -110.88 169.29 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 2.9 p -129.03 175.18 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.305 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.69 120.95 41.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG11 ' NH1' ' A' ' 52' ' ' ARG . 50.8 t -116.26 129.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 45' ' ' ASP . 44.5 p-10 -141.5 169.33 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 51' ' ' ILE . 13.3 t70 -40.65 -37.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.768 HG11 ' C ' ' A' ' 16' ' ' GLN . 37.8 t -58.09 -55.46 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.58 179.43 28.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.641 ' CD ' HD12 ' A' ' 54' ' ' ILE . 9.8 ttpp -68.86 141.77 55.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.11 -105.79 2.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.754 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -137.32 161.46 36.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.05 145.27 27.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.0 p -71.22 145.71 49.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.86 163.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.521 ' OD1' ' CZ2' ' A' ' 64' ' ' TRP . 56.7 m-20 -79.29 109.69 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.808 HG21 HD11 ' A' ' 38' ' ' LEU . 32.3 p -44.52 154.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.4 mt-10 -43.77 130.01 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLU . 4.4 ttm-85 -38.04 104.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 109' ' ' GLU . 32.4 t -97.58 121.19 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -108.93 142.83 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.61 140.19 22.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.881 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.97 117.02 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.7 OUTLIER -37.56 153.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -100.44 138.18 37.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 58.33 158.21 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 66.27 6.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.1 t -139.5 118.5 12.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.7 m -95.73 89.79 5.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -144.14 -58.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 0.781 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -92.2 149.29 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 173.42 22.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -135.23 150.11 50.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -91.28 146.6 23.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.67 135.46 19.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -137.77 -57.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -114.86 100.79 8.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.97 161.12 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -75.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.0 mm? -103.31 -63.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.49 154.35 36.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG1' ' NE2' ' A' ' 16' ' ' GLN . 2.9 p -107.41 122.66 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.673 ' CG ' HG12 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -71.2 93.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' CG1' ' A' ' 14' ' ' VAL . 1.3 tp-100 -92.33 155.63 17.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 101' ' ' LYS . 90.9 mt -77.36 145.93 73.21 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.03 150.29 37.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.74 156.78 24.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.57 164.1 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 129.9 12.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -88.64 179.78 6.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.96 54.56 2.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.01 79.36 2.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -96.72 136.01 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.84 106.06 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.32 149.98 40.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -72.84 164.65 26.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.6 122.38 33.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.8 p -89.17 27.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 32' ' ' GLU . 24.4 m -146.07 -47.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -97.81 121.56 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -66.54 147.12 53.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 46.5 57.35 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -152.91 127.82 9.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.9 mt -110.69 140.28 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.53 103.65 15.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -87.42 133.31 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.5 p -145.28 126.3 14.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.956 ' CE2' HD11 ' A' ' 93' ' ' LEU . 29.9 p90 -133.23 179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.2 m -103.46 156.15 17.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 112.49 27.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 176.23 10.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 4.2 t80 -89.81 125.4 35.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.3 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.73 -63.62 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -171.34 32.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -154.89 154.89 29.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.53 11.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 ' HE1' ' A' ' 53' ' ' TYR . 83.9 mt -43.91 155.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 97' ' ' ASN . 16.9 mt -116.09 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -158.15 177.85 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.897 ' CD2' HD12 ' A' ' 93' ' ' LEU . 3.5 m-85 -132.81 134.91 45.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.561 HD12 ' CD ' ' A' ' 101' ' ' LYS . 28.3 mt -103.94 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -86.05 124.62 32.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 66' ' ' VAL . 1.8 mm-40 -112.68 120.58 42.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 36.1 ttp -102.29 139.52 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -124.73 114.39 19.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.5 tt0 -76.56 -146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -72.9 97.81 2.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.03 14.95 4.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.47 149.0 83.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.81 29.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 73.8 m95 -43.9 115.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -117.37 110.13 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' N ' ' OE1' ' A' ' 56' ' ' GLU . 54.9 t -55.03 101.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.72 -61.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 71' ' ' VAL . 1.2 mt -109.18 114.21 27.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.34 -43.0 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.81 102.45 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 68' ' ' LEU . 23.5 t -123.21 152.38 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 134.27 89.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.91 12.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.807 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -90.97 19.21 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.26 137.29 52.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.7 p -119.22 -0.08 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 10.5 p -142.03 150.54 41.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.5 p -147.98 156.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.431 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 33.9 m -113.75 132.28 55.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 54.3 t -109.89 100.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 79' ' ' THR . 7.2 mttp -105.77 143.13 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.89 -8.59 16.49 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -53.71 158.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 85' ' ' PRO . 81.2 t -100.28 142.94 25.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -74.98 140.55 25.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 71.82 46.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 37.6 mtt180 -151.26 146.95 26.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -89.59 145.94 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.595 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 74.0 m-85 -145.1 146.12 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.572 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 23.9 mt-30 -123.06 166.51 15.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 90' ' ' GLN . 16.8 m-85 -149.79 145.73 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -170.64 104.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.347 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.956 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -100.57 168.0 9.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 15.7 p -134.14 174.12 10.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -102.36 134.99 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 55.4 t -134.87 131.22 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -139.01 -174.27 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.585 ' OD1' HG13 ' A' ' 99' ' ' VAL . 17.6 p-10 -53.04 -50.59 63.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.757 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -46.4 -51.44 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 153.26 -170.69 32.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.762 ' O ' HD22 ' A' ' 17' ' ' LEU . 3.5 ttpt -74.23 153.18 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.14 -101.06 2.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.723 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 1.2 pt20 -150.66 152.64 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 33.9 m-85 -87.05 172.46 9.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -98.19 162.93 12.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 163.58 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -68.55 113.45 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.5 p -53.9 146.96 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.7 tt0 -36.79 123.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.28 96.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' GLU . 39.1 t -89.51 116.74 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.09 150.06 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.977 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -84.89 151.43 57.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.977 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.02 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 2.6 tt0 -37.07 -40.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.9 t 68.55 -68.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 115' ' ' GLU . . . -93.76 173.26 33.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -155.07 93.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -61.54 146.76 47.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.12 102.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -117.04 97.97 6.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 86.76 0.08 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -53.25 -58.33 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -156.07 -58.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.055 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -129.28 5.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.51 133.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m -84.34 134.33 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.87 111.84 21.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.44 -59.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.581 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.44 83.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' C ' ' ND2' ' A' ' 47' ' ' ASN . 11.1 mtt180 -55.75 94.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -118.2 132.19 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.563 ' HD2' HG12 ' A' ' 99' ' ' VAL . 5.1 mtm-85 -70.99 95.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 3.1 pt20 -123.97 173.08 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 99' ' ' VAL . 33.8 mt -69.23 147.62 97.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.4 Cg_endo -74.92 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -123.6 158.09 32.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 104' ' ' PHE . . . -64.29 161.61 40.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.1 Cg_endo -74.99 119.99 5.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -82.28 172.47 13.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 43.8 51.77 8.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.02 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -108.21 151.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.51 105.84 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.3 156.61 36.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.827 HD11 ' HD3' ' A' ' 114' ' ' PRO . 2.3 mt -61.04 165.02 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.02 101.64 12.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p -74.58 -0.75 18.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -109.56 -35.98 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 3.5 mm-40 -116.31 138.71 51.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -83.86 141.37 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.975 ' HA ' HD21 ' A' ' 113' ' ' LEU . 2.0 mtp180 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -120.5 167.17 12.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.609 HG21 ' HE2' ' A' ' 91' ' ' PHE . 88.7 mt -140.44 139.3 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.62 134.16 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 108' ' ' THR . 2.1 tp -127.62 136.39 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -141.47 126.09 17.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.2 p90 -125.94 174.25 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 107.981 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -97.78 156.89 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.95 112.39 24.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -75.01 175.71 10.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.7 t80 -80.88 126.76 31.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.554 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 4.2 p-10 -81.06 137.5 36.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.83 53.74 4.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 13' ' ' ARG . 42.7 t30 61.17 17.58 8.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -128.8 145.54 56.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -43.76 139.1 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 97' ' ' ASN . 10.5 mm -96.28 -59.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -162.17 -165.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -146.4 124.73 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.757 HG22 ' OE2' ' A' ' 56' ' ' GLU . 27.6 mt -92.37 103.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.39 121.98 32.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' OE2' HG22 ' A' ' 54' ' ' ILE . 1.6 mp0 -113.57 121.8 45.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 58' ' ' SER . 51.4 ttp -100.88 148.07 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.5 t -124.46 112.5 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.67 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 3.4 tt0 -78.5 97.75 5.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 55.11 -94.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -111.99 37.44 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -97.87 150.8 37.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.49 30.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 63.6 m95 -43.31 110.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.8 114.13 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 70.4 t -55.47 101.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.4 -61.59 1.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 1.1 mt -108.34 110.52 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' ARG . . . -90.63 -26.03 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.69 100.44 7.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 42.5 t -123.81 151.6 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.39 137.49 86.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.74 11.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.59 22.81 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.38 133.9 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -115.91 -2.24 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.6 p -139.67 150.18 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.57 157.1 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 38.6 m -124.92 121.99 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 ' CE1' ' A' ' 91' ' ' PHE . 39.6 t -93.47 141.29 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -134.33 150.64 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.09 30.54 7.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.599 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -86.03 -177.92 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.645 HG13 ' HD2' ' A' ' 85' ' ' PRO . 86.3 t -119.63 141.8 31.68 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.645 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 140.72 25.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.752 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 67.84 47.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -152.02 140.55 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 m -81.83 148.69 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -145.33 131.09 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 57' ' ' MET . 43.7 mt-30 -109.24 153.99 23.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.863 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -139.23 141.84 37.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.0 113.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.6 OUTLIER -112.27 164.56 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.555 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 9.3 p -128.85 172.54 11.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.18 124.79 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG22 ' HG3' ' A' ' 101' ' ' LYS . 32.7 t -125.38 127.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.542 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -133.6 -177.17 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' ILE . 5.4 t70 -52.73 -52.51 56.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.613 HG23 HD23 ' A' ' 17' ' ' LEU . 7.4 m -44.75 -46.1 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 161.09 -152.71 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -103.96 151.47 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -109.67 -159.6 18.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.99 171.28 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 6.8 m-85 -106.51 175.22 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.7 p -101.21 149.57 23.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -54.36 159.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.407 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 3.1 p-10 -69.4 112.98 6.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.763 HG21 HD11 ' A' ' 38' ' ' LEU . 21.2 p -47.1 174.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -65.08 125.78 26.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.6 ttt180 -34.18 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 109' ' ' GLU . 51.9 t -87.86 118.35 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.1 p -107.19 142.34 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.975 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -90.74 156.13 45.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.827 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.04 138.4 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.752 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 6.0 tt0 -61.35 160.43 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.1 t -133.16 98.93 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -160.71 174.66 37.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 152.1 40.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 t -113.93 93.24 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -78.66 100.86 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.11 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.02 135.35 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.17 179.56 28.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -133.21 135.55 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.67 120.4 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.35 172.87 15.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.35 165.98 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -89.48 131.94 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.31 159.06 44.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -81.74 -59.1 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.578 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.91 142.12 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.2 156.29 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 ' NE2' ' A' ' 16' ' ' GLN . 2.4 p -105.3 135.68 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.522 ' HD2' HG22 ' A' ' 99' ' ' VAL . 8.0 mtm180 -91.35 93.5 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -92.99 164.69 13.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 15.1 mt -92.13 143.05 26.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.94 128.17 11.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 164.17 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -64.81 165.02 16.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.1 mm-40 -102.46 177.82 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.589 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 36.96 55.19 3.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -74.93 79.72 2.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.1 t -97.95 147.44 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -141.73 124.53 16.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 141.66 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -47.88 172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -101.57 -18.23 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.5 p 45.78 25.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -141.14 -58.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.608 ' N ' HG12 ' A' ' 31' ' ' VAL . 3.8 mm-40 -81.62 138.14 35.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 16.4 mmt180 -56.85 128.93 39.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 1.001 ' HA ' HD21 ' A' ' 113' ' ' LEU . 4.2 mpp_? 37.43 56.78 1.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -130.35 141.35 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 91' ' ' PHE . 85.6 mt -117.35 145.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.69 114.53 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.658 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tp -100.1 145.65 27.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -149.71 123.74 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.874 ' CE2' HD11 ' A' ' 93' ' ' LEU . 47.5 p90 -133.18 174.07 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -102.19 155.95 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -79.39 113.4 36.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.4 Cg_endo -74.99 175.39 11.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.3 t80 -85.48 128.86 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 5.8 p-10 -78.78 133.84 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.6 -33.73 12.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 167.99 -33.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.97 160.58 32.07 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.76 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.765 HD13 ' OH ' ' A' ' 53' ' ' TYR . 75.4 mt -41.11 160.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 98' ' ' ASP . 17.1 mm -115.51 -60.38 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -158.35 -178.39 7.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.765 ' OH ' HD13 ' A' ' 50' ' ' LEU . 19.4 m-85 -137.06 138.08 40.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 28.0 mt -103.2 99.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.799 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.66 117.25 27.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 11.1 mt-10 -110.3 128.85 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 49.8 ttp -104.12 147.22 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.2 t -122.41 107.41 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.653 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 25.0 tt0 -75.46 96.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 56.29 -92.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -113.41 33.93 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -94.11 148.62 35.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.55 31.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.565 1.823 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 61.2 m95 -43.61 108.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -108.47 116.63 32.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.5 t -54.92 100.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 HG13 ' A' ' 80' ' ' VAL . 12.9 tp -87.9 -57.77 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.83 109.98 19.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.98 -55.51 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.1 147.17 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.37 135.36 88.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.19 10.2 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -84.89 0.1 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.47 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.46 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 2.6 p -117.04 2.4 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p -145.02 150.25 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.799 HG11 HD12 ' A' ' 55' ' ' LEU . 4.0 p -145.86 156.02 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.7 m -123.69 110.56 15.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 91' ' ' PHE . 75.3 t -79.14 150.49 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 80' ' ' VAL . 5.8 mttp -144.47 143.43 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 20.8 10.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -79.28 -178.61 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.747 HG13 ' HD2' ' A' ' 85' ' ' PRO . 57.3 t -123.45 143.96 42.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.747 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 145.02 30.9 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 64.63 50.09 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -154.03 142.36 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.2 m -83.21 146.79 28.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.562 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 44.2 m-85 -144.65 129.54 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 21.0 mt-30 -108.74 157.53 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.678 ' HE2' HG21 ' A' ' 36' ' ' ILE . 56.7 m-85 -143.13 143.04 31.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.08 109.01 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.8 pt? -107.3 160.85 15.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.5 p -122.63 174.79 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.05 121.26 44.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.717 HG22 ' HG2' ' A' ' 101' ' ' LYS . 12.0 t -120.29 134.93 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 43.3 p-10 -133.76 -171.92 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 51' ' ' ILE . 21.1 t0 -64.06 -24.06 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' HD2' ' A' ' 15' ' ' ARG . 31.6 t -69.52 -59.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.92 -169.05 40.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.717 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -87.39 118.97 27.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.447 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . . . -66.72 -119.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.607 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.4 pt20 -143.07 157.18 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -84.71 159.25 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 p -87.12 165.03 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -58.34 159.08 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -64.3 109.42 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' PRO . 10.8 p -52.35 152.57 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -46.16 114.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 109' ' ' GLU . 10.7 ttm-85 -34.83 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' GLU . 23.5 t -88.82 108.48 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t -94.54 141.55 28.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.001 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -92.83 140.99 23.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.03 152.62 40.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.8 128.29 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 m -109.8 -69.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.04 162.1 14.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 65.55 6.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 t -64.73 -59.31 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 m -86.0 109.57 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -138.58 166.12 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -96.27 154.21 17.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.38 174.8 27.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -134.2 -60.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -98.18 146.24 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.19 -161.26 11.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 58.62 100.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -157.32 105.94 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.12 139.83 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.09 -48.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.623 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.2 mt -143.49 173.5 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -38.8 119.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.27 124.48 58.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HB3' HG22 ' A' ' 99' ' ' VAL . 5.0 mtt-85 -80.58 90.8 5.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -93.65 165.42 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 14.2 mt -75.25 137.78 71.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HB2' ' CB ' ' A' ' 95' ' ' ALA . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.44 164.42 9.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.36 164.76 17.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 143.82 29.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.4 mt-10 -99.7 179.66 4.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.575 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 35.76 55.45 2.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 80.2 2.49 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 134.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.723 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -133.42 113.84 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -123.48 152.34 41.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.2 mt -55.03 -178.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.1 t -109.65 97.06 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p -76.34 54.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -175.14 -43.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.35 165.57 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -108.62 126.94 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.851 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER 63.8 51.19 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -149.52 157.85 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 27' ' ' THR . 23.6 mt -133.67 142.37 41.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.96 109.8 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.723 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.99 134.38 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.5 p -141.72 125.87 17.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.918 ' CE2' HD11 ' A' ' 93' ' ' LEU . 39.7 p90 -137.38 179.02 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.4 m -104.68 156.12 18.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -79.3 112.4 28.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.06 176.23 10.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.786 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' ' OE1' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -72.28 98.59 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' PHE . 8.6 p-10 -39.79 -44.47 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.527 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . 115.83 -42.25 1.94 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.18 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.52 159.0 30.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.6 mt -40.52 151.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 98' ' ' ASP . 17.2 mt -104.25 -57.28 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HD2' HD11 ' A' ' 54' ' ' ILE . 11.4 ptp180 -164.27 -177.24 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.683 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.1 m-85 -138.84 137.13 36.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.623 HD13 ' C ' ' A' ' 53' ' ' TYR . 4.7 mm -102.72 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -86.11 114.81 23.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -105.9 129.88 53.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HB2' HD12 ' A' ' 67' ' ' LEU . 39.1 ttp -105.47 143.29 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.1 t -124.56 94.97 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.1 tt0 -58.67 -153.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -69.71 95.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.39 11.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -74.86 147.4 83.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 142.77 28.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 76.8 m95 -44.88 108.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -108.54 122.8 47.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.38 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -80.85 -66.34 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -107.87 110.46 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -87.14 -32.84 19.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.54 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -114.1 102.88 10.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 68' ' ' LEU . 49.2 t -123.73 153.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -68.79 140.72 91.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -91.71 33.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -120.98 125.2 46.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.506 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 15.3 p -113.77 15.53 18.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.5 p -155.51 148.8 24.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.662 HG12 ' HB3' ' A' ' 38' ' ' LEU . 7.6 p -148.07 155.19 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.7 m -117.18 108.92 16.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.749 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 68.8 t -75.71 147.93 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -140.05 -178.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.37 51.02 58.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.5 mt -108.58 173.84 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' A' ' 85' ' ' PRO . 38.8 t -116.4 136.88 23.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.0 138.65 23.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.76 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 77.63 43.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -150.18 140.85 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.4 m -80.85 141.51 34.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 37.8 m-85 -138.67 138.88 38.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 46.1 mt-30 -115.97 164.22 14.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 17.4 m-85 -147.81 141.02 25.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.51 101.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.918 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -103.32 155.1 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.6 p -121.37 170.33 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . . . -99.3 121.44 41.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.487 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 75.9 t -115.8 132.21 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 39.0 p-10 -142.52 167.19 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.552 ' N ' HD12 ' A' ' 51' ' ' ILE . 18.8 t0 -39.4 -37.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 15' ' ' ARG . 44.5 t -56.38 -63.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.01 176.23 37.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 96' ' ' VAL . 4.9 ttpt -68.85 127.92 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -82.58 -114.44 0.48 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.794 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -136.74 159.57 41.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.313 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' CE2' ' OE2' ' A' ' 56' ' ' GLU . 47.1 m-85 -94.42 148.73 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.3 p -72.74 161.1 31.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -55.63 159.49 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -68.05 108.07 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 109' ' ' GLU . 11.4 p -46.28 140.75 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.811 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 tt0 -37.35 128.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -37.35 97.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 109' ' ' GLU . 58.3 t -92.11 123.89 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -114.12 142.4 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.06 157.62 50.92 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.654 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 133.61 16.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.76 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 23.9 tt0 -56.95 149.48 18.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -159.9 -51.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.43 12.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.097 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.91 22.33 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.4 m -115.81 103.55 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.77 113.73 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.02 161.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -179.94 167.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.53 -151.36 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -93.39 -52.89 4.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m 63.74 160.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 126.16 14.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.45 137.63 25.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.32 138.39 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.062 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 125.86 48.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -122.46 -61.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.54 78.61 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 156.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 2.6 p -103.97 143.69 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.774 ' CG ' HG12 ' A' ' 99' ' ' VAL . 13.6 mtm180 -99.67 86.58 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.52 151.55 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 HD23 HG23 ' A' ' 99' ' ' VAL . 74.7 mt -75.42 146.26 80.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.1 Cg_endo -75.02 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -100.26 156.29 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.63 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.812 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.72 162.61 34.75 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.01 119.64 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.7 mp0 -81.37 173.88 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 42.12 52.32 6.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.648 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -74.96 96.8 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -105.3 149.59 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -146.74 104.89 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -120.31 165.83 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.704 HD23 HG12 ' A' ' 36' ' ' ILE . 4.3 mt -76.95 171.58 14.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 49.3 m -103.66 116.8 33.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.597 ' O ' HG13 ' A' ' 31' ' ' VAL . 20.7 p -91.25 35.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 30' ' ' THR . 20.0 m -158.46 -44.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 1.3 mp0 -95.77 113.79 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -56.22 134.6 53.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.704 ' HA ' HD21 ' A' ' 113' ' ' LEU . 7.3 mmt-85 51.08 48.24 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . -133.75 140.13 46.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' THR . 81.3 mt -119.8 141.6 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.3 m-20 -102.46 130.38 49.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -124.36 135.13 53.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -143.03 127.34 17.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 39.9 p90 -126.31 178.22 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -101.91 156.98 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.4 112.46 26.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.55 9.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.439 1.757 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -87.89 126.33 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.8 p-10 -77.31 131.63 38.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.29 -43.27 57.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 1.3 t30 -178.04 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 160.97 31.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.0 36.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.4 mt -65.21 138.27 58.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 97' ' ' ASN . 30.3 mt -96.1 -47.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.21 -168.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.647 ' HE1' HD13 ' A' ' 50' ' ' LEU . 9.6 m-85 -146.73 132.91 19.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.751 HD12 ' HE2' ' A' ' 101' ' ' LYS . 69.1 mt -92.82 100.44 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -90.7 118.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.683 ' N ' HD22 ' A' ' 55' ' ' LEU . 18.7 mt-10 -110.57 137.97 47.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 58' ' ' SER . 40.9 ttp -115.86 145.32 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 57' ' ' MET . 0.3 OUTLIER -122.04 118.58 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.64 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 32.5 tt0 -101.53 93.36 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 61' ' ' ASN . 14.7 m-80 55.46 112.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 60' ' ' ASN . 30.3 m-80 28.02 45.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.64 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -104.91 148.76 36.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 58.0 m95 -43.87 107.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -104.13 118.32 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t -56.98 99.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 67' ' ' LEU . 6.4 mt -83.79 -59.2 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.9 OUTLIER -110.62 109.5 19.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.9 -45.06 12.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.04 98.88 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 13.6 t -118.15 151.31 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.68 131.88 89.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.29 15.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -96.09 5.97 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.39 135.99 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.56 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -116.14 -2.43 12.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 6.9 p -139.66 153.23 47.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.06 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.38 157.4 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 89.2 m -118.94 135.73 54.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.016 HG21 ' CE1' ' A' ' 91' ' ' PHE . 61.0 t -108.43 102.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.36 155.37 16.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.76 74.6 0.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 61.9 mt -127.78 166.03 18.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.477 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.9 t -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.477 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 148.03 34.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.025 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB2' ' CA ' ' A' ' 115' ' ' GLU . . . 59.21 52.21 6.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -152.76 144.95 23.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 146.12 32.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 18.7 m-85 -145.05 125.43 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' MET . 31.4 mt-30 -108.08 156.27 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.016 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.6 m-85 -142.82 135.1 27.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.79 116.77 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -117.27 160.15 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.59 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 24.6 p -126.28 165.33 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.82 127.73 36.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.751 HG22 ' HG3' ' A' ' 101' ' ' LYS . 20.8 t -127.17 127.47 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.6 p30 -134.22 -175.3 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' HD12 ' A' ' 51' ' ' ILE . 23.2 t0 -49.65 -57.64 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.774 HG12 ' CG ' ' A' ' 15' ' ' ARG . 2.9 m -42.82 -50.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 162.32 -143.45 8.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.463 1.102 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.3 ttmt -118.01 145.07 45.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -94.32 -113.55 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.812 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.4 pm0 -129.03 169.26 14.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 59.8 m-85 -98.35 167.84 10.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 p -93.0 154.32 18.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -52.7 160.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -71.19 111.68 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 38' ' ' LEU . 46.2 p -50.84 152.07 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.2 mt-10 -41.84 120.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -34.83 97.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.7 t -89.02 116.3 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 p -110.71 141.38 44.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.704 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -91.28 146.79 34.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.661 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.93 141.2 26.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.442 ' CA ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -50.23 -28.06 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.01 137.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -153.43 160.74 29.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.18 13.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 t -144.15 126.17 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 92.16 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -136.71 150.37 48.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.73 169.06 18.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.65 160.23 11.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -116.66 154.51 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.007 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -167.87 109.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.33 -158.76 9.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.37 166.37 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 110.24 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.81 172.51 12.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.048 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.08 173.47 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -106.18 152.56 23.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.32 174.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -85.72 146.01 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 2.6 p -94.84 130.25 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.674 ' CG ' HG12 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -87.14 89.49 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -92.53 148.32 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 HG23 ' A' ' 99' ' ' VAL . 84.7 mt -70.93 143.27 88.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.97 173.92 13.67 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -106.16 155.33 19.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.578 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -63.91 163.93 19.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 142.33 27.91 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.555 1.819 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.8 mt-10 -101.93 178.62 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.627 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 39.06 52.62 3.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.03 75.55 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.39 127.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.755 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -119.22 123.87 45.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -134.52 148.04 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.4 mt -52.57 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -14.28 19.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p 39.53 52.13 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER 177.37 -50.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -89.18 167.51 13.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.6 mtt180 -59.88 -139.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.881 ' HA ' HD21 ' A' ' 113' ' ' LEU . 1.9 mpt_? -66.36 58.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . -118.09 133.62 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' CD2' ' A' ' 83' ' ' LEU . 63.0 mt -117.08 135.71 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -92.01 111.02 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.755 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -91.57 135.85 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -140.33 123.69 16.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.907 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.9 p90 -135.03 176.11 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 m -103.59 154.89 19.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 113.48 39.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.04 175.98 10.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.5 t80 -88.13 128.69 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 2.6 p-10 -78.42 133.54 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.1 -44.62 42.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 2.1 t30 -173.57 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.5 158.29 37.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.0 34.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.529 1.805 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 53' ' ' TYR . 75.6 mt -58.62 145.26 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 98' ' ' ASP . 25.5 mt -105.02 -41.86 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' NH2' HG21 ' A' ' 51' ' ' ILE . 6.5 ptp85 -168.75 173.44 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 m-85 -128.06 136.4 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 40.3 mt -105.4 101.68 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 78' ' ' VAL . 6.8 tp -89.06 128.64 35.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' OE1' ' CE2' ' A' ' 104' ' ' PHE . 17.3 mt-10 -120.62 123.74 43.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 58' ' ' SER . 44.1 ttp -106.34 147.57 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.409 ' N ' ' HG2' ' A' ' 57' ' ' MET . 1.4 t -122.36 109.99 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.679 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 26.4 tt0 -77.38 92.18 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 58.67 -94.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -108.66 33.29 4.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.679 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -95.88 148.34 34.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 145.32 31.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 92' ' ' ARG . 73.3 m95 -43.96 108.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -108.9 115.68 30.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.78 100.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 67' ' ' LEU . 14.6 tp -81.09 -57.04 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 HG22 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.38 111.13 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.32 -67.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 106.92 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 68' ' ' LEU . 12.3 t -120.18 153.32 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.27 127.66 92.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.79 15.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.08 11.5 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.86 138.09 50.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 2.0 p -115.5 4.31 14.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 5.3 p -145.38 148.3 33.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 55' ' ' LEU . 9.7 p -146.04 152.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.1 m -104.03 133.6 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 91' ' ' PHE . 86.2 t -108.15 101.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -99.3 168.94 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.75 46.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.792 ' HB3' HD13 ' A' ' 113' ' ' LEU . 2.9 mp -93.84 160.68 14.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 85' ' ' PRO . 64.1 t -102.23 139.27 20.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.4 27.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.723 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 69.65 48.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -153.81 144.84 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -80.73 146.94 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HG ' ' A' ' 83' ' ' LEU . 21.8 m-85 -145.39 128.41 16.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -108.84 158.4 17.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.6 m-85 -141.82 136.57 30.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -158.72 107.1 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.907 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -105.59 160.05 15.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 21.0 p -125.22 174.15 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.43 127.46 53.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.841 HG22 ' HG3' ' A' ' 101' ' ' LYS . 12.5 t -127.28 130.43 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -135.27 -174.2 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.549 ' N ' HD12 ' A' ' 51' ' ' ILE . 36.9 t70 -54.79 -44.65 73.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.72 HG23 HD23 ' A' ' 17' ' ' LEU . 3.1 m -53.79 -42.94 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.11 -151.49 23.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' ' 96' ' ' VAL . 2.7 ttmt -112.65 142.52 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.92 -108.91 1.85 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.721 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -139.75 168.41 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 56' ' ' GLU . 8.2 m-85 -99.6 159.46 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 2.9 p -79.2 157.13 27.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 161.65 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.24 101.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.888 HG22 ' HB2' ' A' ' 24' ' ' PRO . 22.0 p -42.39 150.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -36.47 118.13 0.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -37.02 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 109' ' ' GLU . 85.3 t -93.27 135.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 t -126.23 141.83 51.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.881 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -86.15 156.19 57.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.816 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 152.51 40.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.723 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.2 tt0 -67.88 163.94 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -106.4 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.13 174.81 38.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.3 3.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.88 143.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.0 m -66.36 138.58 57.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.55 -71.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -87.0 143.35 27.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.61 -118.01 1.35 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t 66.99 164.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 p -106.89 164.37 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.01 50.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.2 162.82 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.1 137.11 36.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.54 111.78 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 4.7 t-160 -126.55 63.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.96 79.18 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.84 138.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.7 p -86.87 127.78 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.738 ' CG ' HG12 ' A' ' 99' ' ' VAL . 11.2 mtm105 -84.26 93.64 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -92.34 153.77 18.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.829 HD23 HG23 ' A' ' 99' ' ' VAL . 33.6 mt -81.72 138.68 47.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.08 132.93 15.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -65.2 163.71 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.658 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -65.73 163.96 30.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 152.92 41.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.8 mt-10 -110.74 178.58 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.636 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 41.86 52.09 6.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.875 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.95 82.99 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.72 134.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.75 107.35 5.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -125.54 164.1 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.1 mt -59.05 165.04 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -94.39 111.12 22.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.4 p -84.37 11.63 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 32' ' ' GLU . 30.0 m -127.29 -49.26 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.466 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm-40 -104.13 130.98 51.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 mmt-85 -73.86 140.61 45.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.834 ' HA ' HD21 ' A' ' 113' ' ' LEU . 52.4 mtm180 61.96 29.6 17.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -124.35 169.54 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.754 HD13 HG11 ' A' ' 111' ' ' VAL . 68.1 mt -140.25 139.9 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 106.24 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.719 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -95.04 125.54 39.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -140.02 123.86 17.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CE2' HD11 ' A' ' 93' ' ' LEU . 34.8 p90 -130.76 179.48 5.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' GLU . 7.8 m -103.13 158.75 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -76.6 113.28 27.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 148.84 35.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.8 t80 -66.63 129.18 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 6.2 p-10 -79.91 130.03 34.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.99 -35.27 48.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 2.8 t-20 174.36 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.9 157.89 35.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.48 31.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.81 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.19 145.49 31.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.4 mt -104.8 -51.2 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -159.15 179.52 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 1.119 ' CD1' HD12 ' A' ' 93' ' ' LEU . 2.1 m-85 -133.48 137.19 45.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.826 HD12 ' HE2' ' A' ' 101' ' ' LYS . 10.5 mt -112.64 100.65 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' OE1' ' A' ' 56' ' ' GLU . 2.1 tp -88.64 117.06 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.841 ' CD ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -105.03 118.0 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.4 ttp -101.3 141.95 33.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 t -124.77 107.51 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.706 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.6 tt0 -68.91 -162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.78 99.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.69 18.18 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -80.35 149.03 68.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.92 29.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.638 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 69.9 m95 -44.37 110.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -110.79 113.28 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.841 HG22 ' CD ' ' A' ' 56' ' ' GLU . 58.0 t -56.13 100.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 67' ' ' LEU . 3.6 mt -78.93 -65.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -107.88 110.16 21.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.51 -49.89 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.52 100.07 11.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 9.1 t -123.33 152.9 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.4 135.35 88.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.33 9.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 7.04 20.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.55 126.73 52.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.9 p -108.16 -1.14 20.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.554 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 6.1 t -141.71 164.42 30.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.719 HG12 ' HB3' ' A' ' 38' ' ' LEU . 3.8 p -158.84 154.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.9 m -116.41 108.39 15.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' A' ' 91' ' ' PHE . 79.2 t -79.12 145.24 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -135.18 167.16 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.58 68.95 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.31 168.14 11.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.8 t -95.15 130.74 31.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' PRO . 18.4 Cg_endo -74.98 147.48 34.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.805 ' HB2' ' HA ' ' A' ' 115' ' ' GLU . . . 64.41 52.96 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -157.45 143.99 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 m -80.14 154.1 28.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 27.1 m-85 -145.08 139.74 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' MET . 45.2 mt-30 -127.47 127.43 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' A' ' 80' ' ' VAL . 51.1 m-85 -111.65 151.9 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.638 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -172.89 104.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.119 HD12 ' CD1' ' A' ' 53' ' ' TYR . 1.4 pt? -104.18 163.68 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 30.0 p -126.15 174.85 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.59 121.72 44.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.701 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.0 t -121.38 131.28 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 4.0 p-10 -138.76 -175.84 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -46.26 -59.73 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.829 HG23 HD23 ' A' ' 17' ' ' LEU . 2.3 m -40.91 -49.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 157.46 -145.8 12.53 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.826 ' HE2' HD12 ' A' ' 54' ' ' ILE . 20.5 ttmt -113.98 146.86 39.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.86 -110.78 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.658 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 3.2 pt20 -133.96 164.87 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 9.3 m-85 -95.08 167.5 11.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 p -88.1 161.95 17.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.09 157.65 21.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 25.7 p30 -59.61 109.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.875 HG22 ' HB2' ' A' ' 24' ' ' PRO . 40.9 p -52.0 155.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.9 tt0 -39.8 111.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -36.47 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.754 HG11 HD13 ' A' ' 36' ' ' ILE . 1.7 p -90.64 133.42 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -118.13 141.45 48.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.834 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -88.17 157.49 50.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.689 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 145.1 30.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.805 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 7.3 tm-20 -57.52 -39.24 76.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.95 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 135.71 145.37 5.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.53 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.4 99.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.1 p -65.03 89.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 65.05 97.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 58.82 169.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.3 -143.57 15.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.8 95.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t 62.53 167.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.99 -132.76 1.9 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.93 85.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m 45.1 82.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.71 91.11 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -145.69 155.16 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt 63.93 156.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 108.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 6.0 p -106.94 129.53 60.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -75.8 94.62 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' HG2' ' CA ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER -107.43 167.13 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 17' ' ' LEU . 14.7 mt -62.28 144.76 94.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.57 159.39 25.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.64 164.79 17.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.96 154.17 42.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 1.9 mt-10 -105.69 178.25 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.67 56.12 2.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.2 Cg_endo -75.04 81.98 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.2 t -97.03 139.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.69 121.47 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.53 143.38 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.816 HD11 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -57.25 165.46 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLU . 1.5 t -88.19 108.23 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.0 p -76.71 -0.07 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -113.31 -33.32 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' SER . 3.1 mm-40 -114.33 151.92 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -92.36 150.88 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 45.98 35.56 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -132.44 133.58 44.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.792 HD12 ' CD1' ' A' ' 83' ' ' LEU . 54.1 mt -106.76 146.29 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.21 116.59 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 26' ' ' ALA . 2.1 tp -102.9 139.38 38.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.3 p -141.77 122.86 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.813 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.0 p90 -134.45 168.36 19.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m -96.06 156.61 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.73 113.33 34.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.17 11.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.431 1.753 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 3.8 t80 -91.7 125.7 36.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.9 p30 -87.59 139.28 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -36.16 -71.77 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.68 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.99 159.41 37.45 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 123.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' OH ' ' A' ' 53' ' ' TYR . 7.1 mt -40.08 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 98' ' ' ASP . 13.1 mt -111.03 -52.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -166.22 175.71 8.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.643 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.6 m-85 -133.95 135.25 43.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.809 HD12 ' HE2' ' A' ' 101' ' ' LYS . 56.5 mt -97.69 99.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 120.36 27.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.81 129.79 55.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.401 ' HG3' ' CE1' ' A' ' 91' ' ' PHE . 63.2 ttp -103.35 138.82 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.4 t -124.99 104.75 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.623 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 3.3 tt0 -71.28 -151.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 88' ' ' SER . 3.4 m-20 -66.47 95.68 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.15 13.0 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -75.6 147.24 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.09 29.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.26 108.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.2 t -106.55 115.49 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.24 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 80' ' ' VAL . 15.9 tp -82.31 -55.64 4.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -117.62 110.49 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.33 -32.81 22.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.525 ' O ' HD22 ' A' ' 68' ' ' LEU . 42.7 t -111.1 101.32 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 69.7 t -120.66 148.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.94 88.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.22 16.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -91.15 -2.87 57.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.92 127.99 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.5 p -111.94 0.17 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -143.05 150.62 39.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 38' ' ' LEU . 4.1 p -143.58 157.15 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 41.9 m -120.83 136.89 54.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.838 HG21 ' CE1' ' A' ' 91' ' ' PHE . 49.0 t -113.87 101.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.65 164.17 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.5 69.65 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 36' ' ' ILE . 18.2 mt -118.99 154.37 33.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 24.8 t -91.12 135.63 28.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 144.97 31.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 65.54 49.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -148.63 144.96 27.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.411 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.44 143.33 33.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 30.4 m-85 -143.9 134.03 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 7.3 mm-40 -126.14 164.68 20.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' HG21 ' A' ' 80' ' ' VAL . 86.1 m-85 -149.6 154.91 39.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.5 ptt180 -172.35 110.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.1 pt? -110.11 155.85 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 13.5 p -119.69 175.56 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.51 122.43 44.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 101' ' ' LYS . 26.4 t -119.61 124.86 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 44.6 p-10 -135.9 170.89 15.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' HD12 ' A' ' 51' ' ' ILE . 29.4 t0 -40.67 -54.47 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.0 t -46.35 -47.99 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 156.8 -159.78 29.83 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 96' ' ' VAL . 23.2 ttmt -107.01 141.7 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 0.799 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -92.34 -106.25 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 1.0 OUTLIER -137.32 169.8 17.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 6.4 m-85 -100.9 145.12 29.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 p -64.16 155.22 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.48 162.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.1 p-10 -65.61 113.17 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 38' ' ' LEU . 12.6 p -54.05 146.92 13.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.0 OUTLIER -37.36 110.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.3 ttt180 -30.6 97.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.5 t -88.04 113.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 t -101.0 142.27 32.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.0 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.2 OUTLIER -77.18 136.56 65.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 1.0 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.02 129.91 12.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.664 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 15.0 tt0 -59.06 142.68 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.0 t -76.11 102.34 5.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 51.9 -135.29 34.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.417 1.073 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -66.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.5 t 41.44 81.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.8 p -60.35 106.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -174.88 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -160.51 163.01 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.44 160.86 14.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.56 165.03 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.36 151.16 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.41 -164.73 10.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.65 165.59 14.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.01 -57.19 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.44 173.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -161.95 -58.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -97.59 -59.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -113.91 144.32 43.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG1' ' NE2' ' A' ' 16' ' ' GLN . 1.7 p -86.91 126.87 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.747 ' HB3' HG22 ' A' ' 99' ' ' VAL . 3.3 mtm180 -84.71 94.42 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.9 mp0 -91.82 167.21 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 17' ' ' LEU . 11.3 mt -93.26 140.89 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.95 165.66 30.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -105.57 159.48 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' ' C ' ' A' ' 103' ' ' GLN . . . -65.28 164.39 24.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 153.48 41.6 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 23' ' ' HIS . 10.6 mt-10 -106.48 176.09 5.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.733 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 33.03 56.47 1.37 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.586 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.95 81.67 2.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.62 143.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.717 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -136.17 106.66 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -107.29 145.98 32.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.733 HD23 HG12 ' A' ' 36' ' ' ILE . 6.5 mt -56.38 177.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -121.19 66.01 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 p -38.9 -29.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 32' ' ' GLU . 16.1 m -75.28 -52.62 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.9 mm-40 -98.46 121.7 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt-85 -71.38 129.06 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.846 ' HA ' HD21 ' A' ' 113' ' ' LEU . 45.3 mtm-85 70.81 39.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -138.39 160.39 39.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.733 HG12 HD23 ' A' ' 28' ' ' LEU . 67.4 mt -140.11 132.24 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' THR . 13.3 m-20 -88.77 105.51 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.717 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.89 131.84 34.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.6 p -137.65 128.88 27.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.77 ' CE2' HD11 ' A' ' 93' ' ' LEU . 40.6 p90 -143.97 175.95 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.614 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.5 m -103.67 155.76 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 112.99 32.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.02 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.7 t80 -85.74 128.37 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.623 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -86.39 153.25 22.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 47' ' ' ASN . . . -82.19 69.75 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.1 t-20 75.4 -51.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -88.15 146.51 38.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.29 12.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -42.73 149.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.42 -52.47 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -155.4 -173.51 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 93' ' ' LEU . 11.1 m-85 -138.49 137.88 37.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.653 HD12 ' HE2' ' A' ' 101' ' ' LYS . 22.3 mt -105.43 99.11 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -88.62 116.42 26.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -113.38 136.54 52.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.555 ' O ' HG22 ' A' ' 65' ' ' THR . 7.0 tmm? -110.63 147.44 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 13.3 t -126.6 89.05 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -62.92 -168.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' N ' ' A' ' 62' ' ' ALA . 1.9 m-80 -41.84 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 41.72 29.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -90.06 147.17 36.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.95 141.3 26.61 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 68.0 m95 -44.22 119.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 57' ' ' MET . 3.2 t -116.31 128.82 55.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.56 100.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 80' ' ' VAL . 12.7 tp -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.68 109.95 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.41 -61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 100.04 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.04 147.72 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.56 137.6 88.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.27 3.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -78.89 -2.59 40.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.99 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.459 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 17.2 p -121.29 8.17 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -150.16 146.18 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' A' ' 38' ' ' LEU . 6.0 p -148.3 153.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -119.01 114.09 21.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 67' ' ' LEU . 48.1 t -85.83 149.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -144.08 158.73 43.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.65 22.66 38.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.564 ' CD2' HD12 ' A' ' 36' ' ' ILE . 1.1 mp -81.63 160.15 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.37 135.7 23.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.49 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.4 Cg_endo -74.95 143.6 29.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 70.63 47.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -155.57 149.81 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -85.12 150.18 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.2 m-85 -145.56 119.66 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 57' ' ' MET . 82.4 mt-30 -109.12 128.32 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.434 ' HZ ' HD21 ' A' ' 83' ' ' LEU . 25.8 m-85 -111.84 152.4 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.65 ' NH1' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -168.95 111.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -110.05 161.72 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.524 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 20.5 p -125.68 175.11 7.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.43 121.58 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 101' ' ' LYS . 25.3 t -115.44 132.63 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 46.7 p-10 -138.92 165.71 26.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' ASN . 56.5 t0 -39.38 -47.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.747 HG22 ' HB3' ' A' ' 15' ' ' ARG . 21.2 t -50.58 -61.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.25 -172.44 41.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HE2' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -70.14 146.46 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.2 -109.32 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.701 ' C ' ' HB2' ' A' ' 20' ' ' ALA . 1.5 mt-30 -131.84 156.63 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CD2' ' NH1' ' A' ' 92' ' ' ARG . 39.2 m-85 -100.56 143.36 30.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 p -75.6 149.09 38.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 162.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -67.99 115.45 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 24' ' ' PRO . 17.9 p -49.26 145.08 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -38.04 127.43 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.5 OUTLIER -38.06 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 109' ' ' GLU . 53.8 t -88.26 119.51 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -106.1 136.21 46.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.846 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -92.87 140.73 23.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.576 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 149.09 36.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt0 -71.97 132.84 44.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -60.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.92 25.97 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.61 31.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -91.28 -58.86 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.3 m -92.53 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t 62.38 127.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -179.94 152.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.55 -170.02 21.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -47.35 169.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.19 159.48 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.56 131.89 1.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.67 72.32 8.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -165.25 158.13 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.36 -61.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -178.79 -62.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.587 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.01 169.82 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -46.04 127.07 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -110.6 132.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.786 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -68.69 71.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -93.03 139.23 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.07 148.37 51.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 64.2 m170 -98.23 147.49 24.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 103' ' ' GLN . . . -64.2 164.21 19.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -75.05 120.65 6.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 4.7 mt-10 -86.98 175.73 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 38.58 52.55 3.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.605 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.88 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.1 Cg_endo -74.97 77.82 3.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 23' ' ' HIS . 2.0 t -97.2 128.24 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -115.36 121.47 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -117.62 149.16 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.726 HD23 HG12 ' A' ' 36' ' ' ILE . 4.0 mt -66.46 177.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -109.99 99.57 8.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.3 p -74.62 -6.03 46.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 32' ' ' GLU . 20.3 m -108.92 -51.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' N ' HG23 ' A' ' 31' ' ' VAL . 2.0 tm-20 -96.5 123.89 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -71.79 140.07 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.757 ' HA ' HD21 ' A' ' 113' ' ' LEU . 81.0 mtt180 59.71 39.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -134.97 151.34 50.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.726 HG12 HD23 ' A' ' 28' ' ' LEU . 68.6 mt -132.31 125.86 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' THR . 9.7 m-20 -92.48 114.9 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 26' ' ' ALA . 1.5 tp -94.1 145.62 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -147.06 121.19 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.84 ' CE2' HD11 ' A' ' 93' ' ' LEU . 45.2 p90 -129.42 -175.76 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 108.056 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 m -106.09 155.26 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 112.83 34.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 175.85 10.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 38.1 t80 -86.84 152.17 22.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 2.6 p-10 -97.39 126.24 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -53.56 -40.01 61.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' ND2' ' H ' ' A' ' 14' ' ' VAL . 6.4 m-80 -178.31 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.71 158.8 35.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 154.41 42.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.51 136.07 54.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mt -98.57 -52.37 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' SER . 0.2 OUTLIER -165.68 -169.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 93' ' ' LEU . 10.8 m-85 -142.81 144.61 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 71.2 mt -107.96 99.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.861 HD12 HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -88.8 120.08 29.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 4.0 mt-10 -112.52 123.24 49.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.6 ttp -103.6 138.12 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.94 118.62 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 16.8 tt0 -133.06 137.46 46.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 63.84 69.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ASN . 21.8 m-80 36.19 34.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 59' ' ' GLU . . . -90.9 150.34 41.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.45 34.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 67.7 m95 -43.06 109.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 107.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -104.22 114.73 29.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -54.36 100.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tp -86.66 -59.59 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.791 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.01 109.82 21.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.51 -40.89 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 52' ' ' ARG . 22.6 t -101.56 100.34 10.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.791 HG22 HD13 ' A' ' 68' ' ' LEU . 55.6 t -121.59 152.36 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -70.3 138.12 86.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.86 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -86.53 9.83 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -97.56 138.22 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.482 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 11.6 p -122.64 4.46 9.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 4.0 p -148.72 144.29 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.861 HG11 HD12 ' A' ' 55' ' ' LEU . 9.8 p -141.59 156.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 54.9 m -113.6 137.07 52.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.938 HG21 ' CE1' ' A' ' 91' ' ' PHE . 64.2 t -110.64 101.37 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -94.37 164.21 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 83' ' ' LEU . . . 68.28 70.33 1.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.667 HD22 ' CE1' ' A' ' 89' ' ' TYR . 43.1 mt -123.56 167.54 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 76.2 t -101.92 130.53 24.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.01 141.32 26.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' PRO . . . 74.95 45.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -153.41 150.11 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 m -79.68 149.17 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.667 ' CE1' HD22 ' A' ' 83' ' ' LEU . 11.4 m-85 -145.78 128.28 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 37.2 mt-30 -113.97 161.87 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 80' ' ' VAL . 59.5 m-85 -149.35 142.7 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -164.08 112.36 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.2 pt? -113.43 152.98 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 7.5 p -115.62 173.72 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 114.53 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.788 HG22 ' HG3' ' A' ' 101' ' ' LYS . 54.9 t -111.88 130.24 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 2.4 p-10 -140.43 176.57 8.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' ASN . 22.8 t70 -39.91 -58.61 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.786 HG12 ' HG2' ' A' ' 15' ' ' ARG . 1.8 m -40.97 -50.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.57 -134.14 3.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.788 ' HG3' HG22 ' A' ' 96' ' ' VAL . 3.2 ttmt -128.81 136.37 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -91.8 -118.48 2.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 pt20 -116.0 173.56 6.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.585 ' CZ ' ' SG ' ' A' ' 94' ' ' CYS . 5.3 m-85 -107.81 168.67 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.9 p -89.03 141.07 28.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.86 158.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.431 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 16.2 p30 -56.96 119.91 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.88 HG22 ' HB2' ' A' ' 24' ' ' PRO . 26.9 p -62.3 155.5 24.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 2.1 mt-10 -39.16 112.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -35.0 99.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 109' ' ' GLU . 79.8 t -95.6 122.75 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 t -112.72 142.25 45.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.89 142.58 29.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.544 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.78 159.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.8 p -80.77 74.1 7.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.08 -144.46 15.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.04 7.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.5 169.78 17.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -96.85 144.04 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -156.78 168.75 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 60.57 148.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.75 170.41 12.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.02 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -93.0 167.62 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.56 152.77 24.48 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.498 1.123 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -69.56 157.28 37.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 25.3 t -147.69 82.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' SER . . . 70.74 -73.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER 84.96 -66.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.5 mt -90.94 158.48 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.71 121.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.88 132.42 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.728 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -69.29 72.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 10.6 tp-100 -92.95 141.99 27.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -57.35 147.66 57.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' PRO . 55.4 m170 -94.25 147.76 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 162.93 24.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.49 ' CG ' ' O ' ' A' ' 93' ' ' LEU . 18.2 Cg_endo -75.03 130.62 13.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HD3' ' A' ' 24' ' ' PRO . 2.4 mt-10 -96.19 178.08 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 39.91 52.08 4.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.564 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.754 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.2 Cg_endo -75.01 82.7 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.8 t -95.95 125.75 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.721 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -126.08 106.93 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -126.67 152.7 46.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.904 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.8 mt -45.19 169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.87 -26.64 15.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.969 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p 48.49 22.28 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 32' ' ' GLU . 27.7 m -140.4 -55.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.54 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.5 tm-20 -95.02 125.89 39.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -55.45 126.93 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.859 ' HA ' HD21 ' A' ' 113' ' ' LEU . 5.7 mmt-85 55.92 55.17 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 32' ' ' GLU . . . -141.24 148.61 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.511 HD12 HD21 ' A' ' 83' ' ' LEU . 79.1 mt -126.27 142.54 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.73 105.26 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.723 ' HB3' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -90.62 128.23 36.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -138.99 131.63 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.945 ' CE2' HD11 ' A' ' 93' ' ' LEU . 36.1 p90 -140.28 -175.31 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 m -109.69 155.91 20.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -80.49 112.8 34.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.02 176.06 10.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 48.8 t80 -83.31 158.96 22.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.557 ' O ' ' CE2' ' A' ' 44' ' ' PHE . 4.5 p-10 -102.7 124.98 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' ND2' ' A' ' 47' ' ' ASN . . . -54.88 -31.09 54.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 46' ' ' GLY . 4.5 m-20 171.36 -33.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.63 155.03 38.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 135.67 19.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.701 HD13 ' OH ' ' A' ' 53' ' ' TYR . 88.6 mt -49.6 139.41 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 mt -104.71 -54.17 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -162.37 -178.23 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.701 ' OH ' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -136.59 142.17 43.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 93' ' ' LEU . 66.4 mt -105.01 98.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 93' ' ' LEU . 1.2 tm? -87.59 107.7 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HD22 ' A' ' 55' ' ' LEU . 19.4 mt-10 -102.41 123.03 45.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 67' ' ' LEU . 57.2 ttp -100.89 146.26 27.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.99 106.93 10.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.624 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 2.3 tt0 -69.68 -167.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -54.11 100.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 56.11 22.73 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -87.01 148.79 46.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.26 32.48 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.611 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.0 m95 -44.33 114.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.1 t -114.72 113.84 24.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.6 100.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 67' ' ' LEU . 5.7 mt -82.72 -62.37 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -109.7 109.68 20.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.11 -46.9 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.72 100.74 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 70.9 t -122.82 145.57 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.92 137.72 87.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.36 9.28 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -78.73 -22.32 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.78 126.16 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -109.08 2.56 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.6 p -144.24 152.5 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 38' ' ' LEU . 9.3 p -145.92 156.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -118.47 106.46 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.024 HG21 ' CE1' ' A' ' 91' ' ' PHE . 95.8 t -75.24 153.37 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -143.9 166.72 24.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.97 30.9 58.58 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' A' ' 113' ' ' LEU . 1.1 mp -84.34 175.53 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 85' ' ' PRO . 72.6 t -115.42 143.19 29.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 145.56 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.595 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 57.69 50.1 11.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -147.23 140.79 25.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 m -80.0 145.27 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 36.4 m-85 -144.0 128.25 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 57' ' ' MET . 34.7 mt-30 -110.35 146.48 35.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.024 ' CE1' HG21 ' A' ' 80' ' ' VAL . 50.5 m-85 -128.89 146.57 50.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.611 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -168.58 105.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' CE2' ' A' ' 40' ' ' TRP . 2.0 pt? -109.05 156.18 20.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.608 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 28.7 p -121.17 174.83 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 118.75 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 101' ' ' LYS . 41.0 t -114.85 124.21 71.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.2 p-10 -129.43 -175.07 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -49.02 -53.2 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.728 HG12 ' HG2' ' A' ' 15' ' ' ARG . 2.0 m -45.08 -50.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 158.85 -134.71 3.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -128.22 137.55 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -95.18 -117.1 3.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.608 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 1.6 pt20 -118.92 166.81 12.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 4.7 m-85 -98.12 -176.26 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' PRO . 5.1 p -98.5 149.56 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.97 157.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.421 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -62.92 105.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.754 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.0 p -47.91 145.23 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.5 tt0 -36.5 121.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' GLU . 1.8 ttt180 -37.9 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.8 t -90.76 133.49 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.3 t -122.48 139.45 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.859 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.21 157.15 51.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.904 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 149.93 37.2 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.595 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.5 tt0 -69.51 153.59 43.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.2 90.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 68.5 145.02 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 61.3 5.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.59 166.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 m -94.44 116.24 28.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 63.86 167.45 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.8 155.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.07 -129.66 1.61 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -178.07 101.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -144.12 114.61 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.59 123.99 4.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -54.8 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.45 -56.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.71 -58.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.59 -171.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 -175.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -40.79 124.45 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 ' H ' ' ND2' ' A' ' 47' ' ' ASN . 12.7 p -117.55 134.64 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -72.91 90.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' HG21 ' A' ' 99' ' ' VAL . 2.1 pt20 -114.61 170.53 8.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG23 ' A' ' 99' ' ' VAL . 53.7 mt -67.26 145.78 98.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.98 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.466 1.771 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.31 153.1 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . . . -64.21 162.15 34.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.616 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.3 Cg_endo -75.04 129.11 12.0 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -92.46 169.43 10.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 2.3 m-70 45.61 51.05 8.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.606 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.02 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -98.02 142.33 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 38' ' ' LEU . . . -136.85 104.84 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -126.31 155.33 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 114' ' ' PRO . 3.5 mt -77.81 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.26 115.17 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 p -82.87 9.57 9.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.9 m -122.51 -44.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 2.4 tm-20 -101.86 135.92 42.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -78.04 148.67 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 44.28 48.53 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -144.01 132.92 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' CD1' ' A' ' 83' ' ' LEU . 96.2 mt -112.88 151.44 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.36 118.42 32.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 108' ' ' THR . 1.8 tp -113.27 137.78 50.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -142.19 125.54 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -125.98 177.8 6.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.478 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 61.2 m -102.01 156.55 17.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.63 111.65 19.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.04 176.1 10.37 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.2 t80 -82.07 126.97 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 3.7 p-10 -84.23 140.54 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -78.75 53.5 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.649 ' ND2' ' H ' ' A' ' 14' ' ' VAL . 70.1 m-80 61.81 22.69 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.67 141.55 40.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.52 5.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 ' OH ' ' A' ' 53' ' ' TYR . 77.3 mt -43.27 148.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 HD12 ' C ' ' A' ' 97' ' ' ASN . 42.6 mt -111.95 -58.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -160.11 172.26 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 14.1 m-85 -132.64 129.65 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.86 HD12 ' HE2' ' A' ' 101' ' ' LYS . 74.9 mt -90.9 99.6 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -87.6 114.73 24.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' HD22 ' A' ' 55' ' ' LEU . 27.5 mt-10 -109.89 135.48 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.705 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 tmm? -112.25 148.32 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.594 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 45.8 t -125.61 88.97 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.591 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 3.0 tt0 -60.86 -152.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ALA . 13.0 m-20 -62.09 105.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.9 24.86 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -86.37 146.49 42.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.02 145.27 31.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.613 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 75.2 m95 -43.68 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 57' ' ' MET . 4.4 t -108.73 133.26 53.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.68 100.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.2 mt -80.92 -55.32 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -120.6 109.21 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.64 -69.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 100.16 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' LEU . 6.0 t -114.45 152.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.72 131.75 91.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.07 12.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -93.59 14.74 17.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.67 141.45 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 1.1 p -119.94 -2.38 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.8 p -142.03 149.33 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 68' ' ' LEU . 9.9 p -141.84 157.21 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 53.6 m -114.04 130.67 56.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.091 HG21 ' CE1' ' A' ' 91' ' ' PHE . 41.9 t -106.4 100.79 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -100.46 162.17 13.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.93 56.62 5.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.669 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.0 mt -108.14 157.4 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.596 HG13 ' HD2' ' A' ' 85' ' ' PRO . 95.8 t -86.75 141.47 33.8 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.596 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 142.94 28.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.724 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 58.67 50.04 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -147.51 141.25 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -80.49 147.4 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 83' ' ' LEU . 29.6 m-85 -144.55 130.73 19.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.74 170.29 8.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.091 ' CE1' HG21 ' A' ' 80' ' ' VAL . 72.1 m-85 -152.87 143.16 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -166.21 103.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.752 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.7 pt? -107.18 158.02 17.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 30.7 p -124.32 174.3 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.313 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.97 124.74 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 101' ' ' LYS . 43.0 t -122.97 122.59 66.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.58 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.9 p-10 -132.37 -177.42 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 51' ' ' ILE . 50.2 t0 -51.07 -54.41 25.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.686 HG23 HD23 ' A' ' 17' ' ' LEU . 4.4 m -44.47 -42.36 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 154.02 -148.0 18.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.148 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.86 ' HE2' HD12 ' A' ' 54' ' ' ILE . 12.3 ttmt -113.12 150.97 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -100.0 -119.02 4.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -131.99 161.89 32.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.249 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -91.59 146.47 23.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.5 p -71.33 155.76 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -53.64 165.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 3.5 p-10 -72.56 109.15 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 38' ' ' LEU . 24.8 p -54.6 150.83 8.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -38.79 119.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -38.71 114.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 26' ' ' ALA . 3.3 t -95.54 125.61 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.2 p -106.16 137.62 43.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.047 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.1 OUTLIER -79.22 148.57 71.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 1.047 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.0 122.67 7.35 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.724 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 5.3 tm-20 -62.83 103.34 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.3 p -42.85 151.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -122.86 138.48 11.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.44 5.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t 53.64 89.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.6 p -80.73 122.2 26.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.12 -58.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -44.06 150.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.42 173.2 13.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -141.7 168.54 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -101.57 150.36 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.19 -151.77 5.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.11 133.7 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 t -118.14 141.39 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.59 164.78 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 133.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mp 67.52 152.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -81.75 155.15 25.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.9 p -100.03 131.35 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' CG ' HG12 ' A' ' 99' ' ' VAL . 1.4 mtm105 -87.46 89.18 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.826 ' O ' HG21 ' A' ' 99' ' ' VAL . 1.6 tp-100 -91.86 159.32 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG23 ' A' ' 99' ' ' VAL . 18.9 mt -82.6 144.82 49.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.99 -178.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -119.22 157.7 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 103' ' ' GLN . . . -63.75 163.21 22.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.5 Cg_endo -74.98 140.57 25.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.536 1.808 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' HIS . 3.5 mt-10 -97.38 178.25 5.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 37.23 54.54 3.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.831 ' HB2' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.99 79.8 2.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -95.96 122.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.72 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -121.26 106.0 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 146.55 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 36' ' ' ILE . 3.3 mt -65.53 170.2 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' ALA . 32.8 p -85.76 119.38 26.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.0 p -86.82 14.24 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 HG23 ' N ' ' A' ' 32' ' ' GLU . 14.6 m -137.82 -52.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' N ' HG23 ' A' ' 31' ' ' VAL . 1.6 mm-40 -84.95 160.98 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -101.54 139.79 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 51.92 47.57 24.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.72 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -142.53 130.03 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.771 HD12 ' CD2' ' A' ' 83' ' ' LEU . 96.2 mt -111.25 136.37 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 104.24 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.72 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -85.82 127.2 34.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 p -138.91 127.34 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.684 ' CZ2' HD11 ' A' ' 93' ' ' LEU . 44.1 p90 -136.47 -177.05 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 108.007 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 m -108.91 156.07 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.52 113.5 37.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.02 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 4.9 t80 -84.12 128.55 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 11.1 p-10 -81.54 129.27 34.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -44.68 -45.15 8.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 14' ' ' VAL . 1.0 OUTLIER -178.81 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -93.44 160.23 33.5 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.17 40.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 53' ' ' TYR . 21.7 mt -71.61 139.94 49.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.88 -53.75 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -151.41 167.52 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.698 ' CE1' HD13 ' A' ' 50' ' ' LEU . 1.6 m-85 -127.32 128.95 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 101' ' ' LYS . 60.0 mt -95.08 126.7 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD13 ' C ' ' A' ' 55' ' ' LEU . 1.2 tm? -116.95 117.88 30.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -108.22 123.03 48.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 67' ' ' LEU . 56.2 ttp -103.12 145.74 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -124.62 115.1 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.71 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 1.1 tt0 -87.77 94.0 9.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 30.8 m-20 62.86 -97.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.98 16.47 22.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -74.82 150.25 86.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 143.66 29.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 70.6 m95 -43.12 108.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.553 ' CG2' ' O ' ' A' ' 65' ' ' THR . 2.2 t -110.11 105.63 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 1.1 p -54.84 101.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 67' ' ' LEU . 9.9 mt -81.0 -50.71 9.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.822 HD13 HG21 ' A' ' 78' ' ' VAL . 1.1 mt -112.01 110.42 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.75 -60.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.91 102.04 14.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG22 HD22 ' A' ' 68' ' ' LEU . 53.2 t -118.42 153.68 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 132.28 92.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.09 20.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.774 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -101.17 7.72 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.97 142.93 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.532 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.4 p -123.58 3.0 8.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.541 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 3.1 p -146.88 156.47 43.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.822 HG21 HD13 ' A' ' 68' ' ' LEU . 5.4 p -153.17 156.89 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 94.8 m -113.18 134.97 54.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 91' ' ' PHE . 20.1 t -114.2 107.15 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.72 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 14.5 mtmt -109.8 150.21 28.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.44 10.41 36.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.771 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -67.36 157.41 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 85' ' ' PRO . 84.8 t -91.36 142.59 27.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 144.05 29.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.883 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 61.94 47.44 5.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -148.79 149.94 32.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.51 146.87 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 55.2 m-85 -144.35 131.1 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -110.2 149.41 30.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE1' HG21 ' A' ' 80' ' ' VAL . 27.8 m-85 -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.581 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -165.93 105.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.0 pt? -112.76 153.54 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.526 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 13.8 p -120.62 175.81 5.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 50' ' ' LEU . . . -103.19 140.56 37.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 101' ' ' LYS . 13.8 t -137.33 132.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.705 ' CG ' HG22 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -134.62 -175.05 3.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.493 ' OD1' HG13 ' A' ' 99' ' ' VAL . 5.0 p-10 -60.72 -33.75 73.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.826 HG21 ' O ' ' A' ' 16' ' ' GLN . 4.3 m -63.39 -37.43 79.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 152.36 -149.43 21.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.617 ' HE2' HD12 ' A' ' 54' ' ' ILE . 22.6 ttmt -119.85 153.93 35.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -105.2 -130.19 6.68 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.711 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -119.21 158.2 26.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 18.9 m-85 -88.6 162.05 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -82.14 155.13 25.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.86 157.48 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 107' ' ' ASP . 2.7 p30 -59.04 109.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.831 HG22 ' HB2' ' A' ' 24' ' ' PRO . 18.4 p -52.69 150.49 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -37.81 124.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.42 106.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 36' ' ' ILE . 6.7 t -93.66 124.29 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -107.04 140.65 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -79.55 151.02 74.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.01 115.33 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.883 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -58.92 99.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -93.63 124.98 37.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 125.53 146.06 6.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.39 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.9 m -39.29 146.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.11 108.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -136.77 -57.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -133.47 107.25 7.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.9 73.2 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.47 164.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.66 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.76 -80.71 0.28 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 66.84 105.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -160.7 135.56 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.16 -60.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -178.87 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mp -45.79 135.52 6.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' CB ' ' ND2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -76.26 115.66 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 ' N ' HD22 ' A' ' 47' ' ' ASN . 2.3 p -104.95 124.39 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' HG22 ' A' ' 99' ' ' VAL . 3.2 mtt85 -81.82 89.44 6.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -95.5 165.22 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 17' ' ' LEU . 16.5 mt -59.24 140.11 87.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' CE1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -99.13 171.83 7.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . -74.51 163.76 65.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 153.81 41.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.8 mt-10 -105.15 179.26 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 35.34 56.22 2.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.99 80.3 2.46 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.64 144.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' CB ' HD12 ' A' ' 38' ' ' LEU . . . -140.32 110.95 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -119.83 153.79 35.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.41 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD23 ' CG1' ' A' ' 36' ' ' ILE . 2.6 mt -75.01 170.31 16.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 75.2 m -92.55 122.53 35.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.1 p -91.33 25.48 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 32' ' ' GLU . 1.2 t -150.22 -48.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 1.5 mm-40 -90.4 122.52 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -68.97 134.15 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 57.24 51.08 10.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . . . -145.63 132.22 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.7 HD12 ' CD1' ' A' ' 83' ' ' LEU . 94.9 mt -114.45 141.76 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' THR . 2.0 m-20 -104.55 105.7 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.638 HD23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 tp -87.98 140.72 29.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.8 p -143.62 122.35 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.429 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE2' HD11 ' A' ' 93' ' ' LEU . 44.4 p90 -134.14 171.43 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 m -94.47 159.09 15.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' NZ ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -75.89 113.39 26.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' CB ' ' CD2' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.1 152.54 40.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.534 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 0.8 OUTLIER -64.48 153.23 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.978 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.0 p-10 -115.28 120.67 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -35.38 -49.52 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.533 HD22 ' N ' ' A' ' 14' ' ' VAL . 1.3 t-20 170.47 38.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -155.17 155.79 30.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.08 118.79 5.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 33.6 mt -39.42 145.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 mt -99.27 -55.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -164.5 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' A' ' 93' ' ' LEU . 19.8 m-85 -141.0 149.97 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.847 HD12 ' CD ' ' A' ' 101' ' ' LYS . 79.2 mt -109.64 107.91 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.97 117.71 24.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -113.76 126.95 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.992 ' HB3' HD21 ' A' ' 67' ' ' LEU . 65.8 ttp -110.71 140.85 44.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 4.7 t -125.31 100.59 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.576 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 0.7 OUTLIER -68.24 -160.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.34 97.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 57.89 19.97 6.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.559 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -83.39 148.91 56.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -74.97 142.35 27.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.446 1.761 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CH2' ' HG2' ' A' ' 92' ' ' ARG . 58.1 m95 -45.63 119.76 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 108.012 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 65' ' ' THR . 1.2 t -119.75 111.89 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 54' ' ' ILE . 99.4 t -54.72 113.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 57' ' ' MET . 0.2 OUTLIER -86.8 -64.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD13 HG22 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -108.24 110.3 21.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.83 25.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.498 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -102.64 99.56 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 68' ' ' LEU . 10.0 t -120.03 151.21 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 140.44 87.72 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -92.76 16.66 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.16 132.53 50.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 1.3 p -120.3 2.3 10.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.351 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 p -145.37 145.25 31.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 55' ' ' LEU . 7.9 p -145.24 156.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 86.0 m -110.04 136.37 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.754 HG21 ' CE1' ' A' ' 91' ' ' PHE . 85.2 t -110.47 100.55 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -97.59 151.21 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.08 69.23 1.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.7 ' CD1' HD12 ' A' ' 36' ' ' ILE . 31.2 mt -119.94 157.68 28.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 113' ' ' LEU . 37.3 t -86.41 136.53 35.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 139.73 24.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.694 ' HB2' ' CG ' ' A' ' 115' ' ' GLU . . . 63.95 48.33 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -147.74 147.35 29.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -83.42 148.85 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 19.0 m-85 -145.32 125.97 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 57' ' ' MET . 39.7 mt-30 -115.02 136.12 53.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 80' ' ' VAL . 79.2 m-85 -119.45 159.61 23.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.632 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -178.05 116.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.4 pt? -116.31 166.1 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 23.4 p -128.76 175.49 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.46 129.81 45.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 69.4 t -127.13 119.76 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' ASP . 38.5 p-10 -132.96 172.06 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' ASN . 46.6 t0 -39.01 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' HB3' ' A' ' 15' ' ' ARG . 23.9 t -53.1 -64.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.91 37.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.847 ' CD ' HD12 ' A' ' 54' ' ' ILE . 5.3 ttpp -69.48 138.28 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.82 -112.67 3.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 4.2 pt20 -130.15 159.04 38.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 29.5 m-85 -98.23 156.26 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.6 p -78.86 157.93 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 106' ' ' LYS . 1.1 mppt? -60.25 161.08 7.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -65.58 112.26 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 24' ' ' PRO . 55.4 p -50.79 -178.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.19 120.53 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.2 ttt180 -36.31 97.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 109' ' ' GLU . 17.5 t -87.93 108.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -95.28 140.74 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.01 HD13 ' HD2' ' A' ' 114' ' ' PRO . 0.0 OUTLIER -74.26 150.58 87.54 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 1.01 ' HD2' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.92 119.06 5.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.694 ' CG ' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -56.02 92.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 p -39.33 103.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 56.99 168.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.22 29.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 p -150.04 154.24 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.84 103.51 15.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -137.28 135.79 37.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -139.19 146.88 41.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.26 178.68 22.58 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.66 128.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.06 -54.73 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.49 148.41 4.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -154.81 145.16 22.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.96 165.13 30.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.48 179.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 60.61 116.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.61 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 72.82 141.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -75.47 127.14 32.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.4 p -116.32 139.0 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.783 ' HG2' HG12 ' A' ' 99' ' ' VAL . 22.0 mtm-85 -57.95 83.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -93.27 153.39 18.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 99' ' ' VAL . 60.1 mt -69.76 148.85 96.69 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HG3' ' CG ' ' A' ' 97' ' ' ASN . 18.2 Cg_endo -74.99 -179.65 5.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -111.84 151.93 28.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.637 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.792 ' HB2' ' HG3' ' A' ' 103' ' ' GLN . . . -63.74 161.81 33.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.64 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 18.4 Cg_endo -74.95 120.21 5.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -85.05 172.75 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.638 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 m-70 42.83 52.49 7.91 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.638 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.3 Cg_endo -75.03 93.01 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.535 1.808 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 m -97.87 141.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.757 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -139.49 104.22 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -131.0 157.77 42.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HD3' ' A' ' 114' ' ' PRO . 5.5 mt -55.69 172.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -86.34 -19.48 29.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p 45.24 25.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -155.92 -51.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -97.72 124.04 41.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.22 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.949 ' HA ' HD21 ' A' ' 113' ' ' LEU . 0.5 OUTLIER 53.85 46.31 26.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.764 ' HB2' ' HG2' ' A' ' 81' ' ' LYS . . . -140.18 139.91 35.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.626 HD11 HD23 ' A' ' 83' ' ' LEU . 51.3 mt -121.01 152.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.26 101.78 10.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 108' ' ' THR . 0.9 OUTLIER -97.64 121.49 39.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -133.7 135.61 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.64 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 34.9 p90 -134.39 -174.0 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.467 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 m -107.95 156.73 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.14 112.08 23.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.5 Cg_endo -74.91 175.8 10.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 5.2 t80 -88.98 124.62 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.8 p-10 -82.69 121.73 27.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -37.1 -63.48 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -173.95 34.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.25 154.09 29.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -43.62 154.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 97' ' ' ASN . 17.4 mt -114.0 -58.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -161.07 171.66 18.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 10.7 m-85 -133.59 128.48 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.892 HD12 ' NZ ' ' A' ' 101' ' ' LYS . 24.7 mt -91.52 103.15 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -92.41 111.79 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' HD22 ' A' ' 55' ' ' LEU . 12.2 mt-10 -104.8 128.84 53.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.534 ' HB2' HD12 ' A' ' 67' ' ' LEU . 56.8 ttp -101.12 147.86 25.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 2.0 t -124.25 101.01 6.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 50.5 tt0 -73.78 102.47 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 56.39 -93.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -115.35 19.48 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HB3' ' H ' ' A' ' 59' ' ' GLU . . . -75.13 148.9 84.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.57 29.15 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.479 1.779 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 65.9 m95 -43.47 111.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.03 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 65' ' ' THR . 1.3 t -109.82 118.93 37.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.55 100.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 57' ' ' MET . 7.0 mt -85.38 -62.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.535 HD13 HG22 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -111.0 110.4 20.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.55 17.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.15 99.83 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 68' ' ' LEU . 11.2 t -117.86 151.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.97 130.29 91.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.12 18.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -98.98 18.51 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.86 138.53 49.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.561 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.2 p -115.11 -7.21 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 8.8 p -136.62 152.15 50.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 38' ' ' LEU . 5.9 p -144.4 156.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.447 HG22 ' HE2' ' A' ' 81' ' ' LYS . 87.8 m -115.8 119.23 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.805 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 41.6 t -96.51 103.59 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 35' ' ' ALA . 18.7 mtmt -108.81 149.21 29.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 101.88 25.56 7.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.703 ' HB3' HD13 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -88.92 162.49 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.73 HG13 ' HD2' ' A' ' 85' ' ' PRO . 76.9 t -94.47 143.4 26.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.73 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.0 146.7 32.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . . . 61.74 50.99 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -155.29 145.12 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.8 m -83.93 148.2 27.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 26.7 m-85 -145.63 129.46 17.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 47.1 mt-30 -108.33 163.08 13.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.805 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 14.0 m-85 -145.26 147.06 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -166.34 111.45 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.644 ' H ' HD23 ' A' ' 93' ' ' LEU . 1.8 pt? -116.9 156.38 27.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.618 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.9 p -121.32 174.36 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.58 127.33 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.62 HG22 ' HG3' ' A' ' 101' ' ' LYS . 45.9 t -125.42 123.86 65.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.568 ' CG ' HG22 ' A' ' 99' ' ' VAL . 1.6 p30 -131.42 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -53.99 -53.25 55.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.783 HG12 ' HG2' ' A' ' 15' ' ' ARG . 4.0 m -45.02 -42.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 97' ' ' ASN . . . 156.37 -147.19 15.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.892 ' NZ ' HD12 ' A' ' 54' ' ' ILE . 1.1 ttmm -113.59 148.54 36.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' A' ' 101' ' ' LYS . . . -98.15 -110.2 2.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.792 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -144.65 162.82 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.277 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 22.5 m-85 -93.14 156.89 16.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -82.5 146.62 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -46.28 167.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -74.19 113.75 11.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.846 HG21 HD21 ' A' ' 38' ' ' LEU . 11.3 p -47.57 174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -66.13 128.7 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.8 ttt180 -36.42 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 109' ' ' GLU . 21.6 t -88.4 118.62 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -105.14 139.82 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.949 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -91.25 157.53 42.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.805 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 143.52 29.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' A' ' 86' ' ' ALA . 11.0 tt0 -64.1 158.23 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.3 t -169.1 -57.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 42.31 -153.99 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 62.94 5.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.4 t -122.11 81.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 145.09 34.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -140.84 -51.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -166.16 166.82 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.22 104.5 0.88 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -169.82 89.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.74 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.79 -166.3 37.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.42 101.89 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.777 . . . . 0.0 110.241 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -132.46 124.47 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.33 143.73 40.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -166.49 110.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.603 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp 62.64 145.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -72.85 138.57 46.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -120.54 156.41 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.3 78.57 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -93.03 170.61 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.8 mt -81.49 148.22 61.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.64 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 165.31 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.16 162.33 40.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 159.82 40.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -110.95 179.42 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 36.27 55.68 2.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.628 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 23' ' ' HIS . 18.4 Cg_endo -74.94 77.17 3.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 t -96.67 137.94 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.683 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -134.98 120.36 19.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -138.03 145.87 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD12 HG12 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -53.87 165.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.1 116.97 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 60.7 p -84.42 37.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 30' ' ' THR . 32.5 m -157.23 -45.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.76 139.54 38.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -85.57 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.676 ' HA ' HD21 ' A' ' 113' ' ' LEU . 43.2 mtm180 57.5 32.65 22.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' VAL . . . -132.92 141.15 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 ' HE2' ' A' ' 91' ' ' PHE . 82.0 mt -113.55 141.73 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -102.55 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.683 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -100.13 135.12 42.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -141.23 125.03 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 1.003 ' CE2' HD11 ' A' ' 93' ' ' LEU . 38.4 p90 -138.17 169.81 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 11.5 m -100.19 155.81 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 112.83 33.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 3.0 t80 -82.38 125.81 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.6 p-10 -80.75 142.15 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.528 ' CA ' ' HG2' ' A' ' 16' ' ' GLN . . . -76.2 54.36 3.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 60.81 35.38 19.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' N ' ' OD2' ' A' ' 45' ' ' ASP . 2.3 t -148.02 142.67 16.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.01 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.55 150.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.03 -48.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -163.11 -175.97 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.875 ' CD2' HD12 ' A' ' 93' ' ' LEU . 5.5 m-85 -138.2 128.0 25.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.901 HD12 ' HE2' ' A' ' 101' ' ' LYS . 57.9 mt -96.62 103.73 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD22 HG11 ' A' ' 78' ' ' VAL . 4.4 tp -92.44 126.39 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.87 ' OE2' HG22 ' A' ' 66' ' ' VAL . 6.7 mp0 -116.59 135.18 54.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.683 ' O ' HG22 ' A' ' 65' ' ' THR . 12.2 tmm? -112.05 142.87 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -125.07 99.14 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 tt0 -86.37 128.81 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 52.84 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLU . 6.7 m-20 -130.32 22.79 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 150.24 89.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.77 32.86 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 71.5 m95 -42.82 107.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 57' ' ' MET . 8.9 t -105.69 128.93 53.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.87 HG22 ' OE2' ' A' ' 56' ' ' GLU . 16.0 t -66.77 98.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 57' ' ' MET . 9.9 mt -75.31 -57.01 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -121.62 110.06 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.03 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' A' ' 70' ' ' SER . 1.2 p -84.98 100.94 11.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 68' ' ' LEU . 66.7 t -124.62 148.49 28.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.09 137.83 89.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -34.88 3.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.01 -5.65 47.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.95 131.2 35.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 40' ' ' TRP . 1.3 p -112.76 -1.69 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 2.4 p -138.72 157.26 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG11 HD22 ' A' ' 55' ' ' LEU . 5.1 p -152.19 154.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 93.0 m -118.87 127.8 53.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 ' CE1' ' A' ' 91' ' ' PHE . 58.7 t -100.63 104.92 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -96.2 138.5 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.04 75.3 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.657 ' CD1' HD12 ' A' ' 36' ' ' ILE . 77.4 mt -129.99 163.14 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 85' ' ' PRO . 53.2 t -92.48 138.77 23.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.99 152.54 40.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 56.24 54.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -154.74 144.1 21.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.5 m -80.27 149.3 30.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CE1' HD22 ' A' ' 83' ' ' LEU . 22.8 m-85 -144.75 128.61 17.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 107' ' ' ASP . 35.8 mt-30 -108.09 165.63 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE1' HG21 ' A' ' 80' ' ' VAL . 60.0 m-85 -152.6 142.39 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -164.86 109.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.003 HD11 ' CE2' ' A' ' 40' ' ' TRP . 0.9 OUTLIER -109.42 154.53 22.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 9.4 p -118.94 175.4 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.42 124.19 47.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.846 HG22 ' HG3' ' A' ' 101' ' ' LYS . 16.9 t -123.94 120.42 59.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -128.03 179.55 5.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' VAL . 1.3 p30 -50.83 -39.27 52.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.403 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 4.8 t -59.76 -40.05 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.3 -155.58 26.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.901 ' HE2' HD12 ' A' ' 54' ' ' ILE . 25.7 ttmt -111.98 140.68 46.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -93.07 -115.75 2.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 94' ' ' CYS . 0.9 OUTLIER -124.31 172.05 9.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.429 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 5.8 m-85 -104.85 149.58 25.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.2 p -68.56 158.97 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -60.11 158.59 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 90' ' ' GLN . 12.7 p30 -61.54 112.02 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 91' ' ' PHE . 33.5 p -50.45 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.3 tt0 -71.65 120.6 17.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 109' ' ' GLU . 2.6 ttm-85 -35.97 102.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 26' ' ' ALA . 21.6 t -88.5 106.93 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -94.76 138.61 32.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -93.87 140.78 23.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.5 25.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.72 101.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.79 -60.64 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.23 159.89 26.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.153 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 85.24 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.3 p -129.78 106.92 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.9 p -100.74 112.76 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -176.47 133.69 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -93.63 167.43 11.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.53 -174.17 5.83 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -153.38 169.34 23.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.07 139.31 30.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.17 -120.23 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -159.23 155.41 26.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.3 p -95.59 162.89 13.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.98 148.41 44.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.98 -60.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.64 166.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.74 127.06 29.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -106.93 124.92 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.866 ' HG2' HG12 ' A' ' 99' ' ' VAL . 4.1 mtm-85 -60.08 82.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -92.46 142.61 27.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -68.08 148.39 98.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 18.3 Cg_endo -74.95 141.25 26.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' O ' ' CG ' ' A' ' 43' ' ' PRO . 64.1 m170 -62.66 148.81 45.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.545 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -64.41 165.09 15.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 139.88 24.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' HIS . 2.7 mt-10 -98.04 175.54 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 34.88 55.17 1.95 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.56 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' O ' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.05 79.04 2.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.6 t -95.94 140.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . . . -128.31 109.07 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -106.14 152.59 23.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.411 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' HD3' ' A' ' 114' ' ' PRO . 4.0 mt -62.61 -179.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.6 m -118.37 73.22 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.5 p -45.7 -25.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG12 ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -87.67 -61.06 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -68.29 143.95 55.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.963 ' HA ' HD21 ' A' ' 113' ' ' LEU . 3.4 mtp180 50.13 49.58 20.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 80' ' ' VAL . . . -144.66 148.94 34.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.493 HG12 HD23 ' A' ' 28' ' ' LEU . 37.9 mt -126.89 124.48 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' THR . 3.8 m-20 -83.75 106.89 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' ' HB2' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -85.04 132.74 34.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -136.69 132.02 34.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.65 ' CE2' HD11 ' A' ' 93' ' ' LEU . 43.9 p90 -146.23 -179.89 7.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 108.013 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.598 ' OG1' ' CD2' ' A' ' 23' ' ' HIS . 1.8 m -109.44 154.42 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -80.83 113.49 40.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.03 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' ' O ' ' A' ' 45' ' ' ASP . 2.5 t80 -81.38 128.8 34.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' ' CE1' ' A' ' 44' ' ' PHE . 1.5 p-10 -75.72 128.04 34.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 16' ' ' GLN . . . -45.73 -76.36 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.47 24.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.12 161.72 28.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.38 42.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD13 ' HE1' ' A' ' 53' ' ' TYR . 96.6 mt -70.91 151.18 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 97' ' ' ASN . 35.4 mt -116.18 -62.44 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 9.6 ptp180 -152.56 175.62 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' ' 94' ' ' CYS . 9.3 m-85 -136.89 125.12 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.732 HD12 ' HE2' ' A' ' 101' ' ' LYS . 9.4 mt -91.76 103.32 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -92.2 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -101.98 125.82 48.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.65 ' O ' HG22 ' A' ' 65' ' ' THR . 55.9 ttp -102.82 142.34 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 1.2 t -125.19 107.94 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 89' ' ' TYR . 1.1 tt0 -77.59 -165.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.4 101.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 50.97 22.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.532 ' HB3' ' N ' ' A' ' 59' ' ' GLU . . . -85.12 150.83 55.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.52 30.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.665 ' CZ3' ' HG2' ' A' ' 92' ' ' ARG . 53.4 m95 -44.1 111.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 57' ' ' MET . 10.0 t -110.38 101.77 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 100.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD11 ' SD ' ' A' ' 57' ' ' MET . 10.0 mt -80.51 -52.63 7.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -112.93 109.76 19.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.16 -35.71 16.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -108.83 100.47 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.047 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 39.0 t -118.45 153.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -67.98 138.09 92.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -31.4 6.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.25 22.0 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . . . -110.24 139.55 45.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.502 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 44.1 p -124.21 0.52 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -143.73 142.89 31.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 38' ' ' LEU . 8.4 p -138.96 154.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 m -116.92 115.86 26.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 95.2 t -87.41 149.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -140.98 173.85 11.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.96 20.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 22.3 mt -109.7 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 85' ' ' PRO . 74.8 t -112.67 139.6 22.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 84' ' ' VAL . 18.5 Cg_endo -75.0 145.3 31.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . . . 60.4 50.36 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -150.17 144.1 25.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.4 m -80.21 150.46 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 59' ' ' GLU . 21.8 m-85 -145.97 126.18 13.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -108.42 158.97 17.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.636 ' CD2' HD23 ' A' ' 38' ' ' LEU . 16.8 m-85 -142.77 147.83 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.665 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -167.01 104.05 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 40' ' ' TRP . 1.7 pt? -110.96 152.36 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 53' ' ' TYR . 25.6 p -117.67 174.29 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . . . -102.17 120.9 41.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.642 HG22 ' HG3' ' A' ' 101' ' ' LYS . 87.7 t -118.09 132.01 69.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.559 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 1.7 p-10 -141.08 -175.15 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 62.5 t0 -50.47 -52.34 39.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.866 HG12 ' HG2' ' A' ' 15' ' ' ARG . 1.5 m -43.7 -51.28 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 99' ' ' VAL . . . 160.15 -133.71 3.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.732 ' HE2' HD12 ' A' ' 54' ' ' ILE . 15.6 ttmt -129.78 135.23 48.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 17' ' ' LEU . . . -94.12 -129.32 5.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.34 170.83 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CG ' ' HB3' ' A' ' 94' ' ' CYS . 43.7 m-85 -100.09 179.81 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 p -99.33 153.55 18.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -49.18 163.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.06 113.74 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 24' ' ' PRO . 16.8 p -50.8 145.74 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 111' ' ' VAL . 1.4 tt0 -48.05 128.64 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -37.26 103.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 109' ' ' GLU . 67.0 t -95.3 120.44 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.6 p -106.27 142.51 35.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -88.72 156.77 49.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.561 ' HD3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 134.84 18.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.711 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.31 130.38 43.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.449 ' N ' ' CD ' ' A' ' 115' ' ' GLU . 48.1 t -85.64 97.08 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 158.03 -147.57 15.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 84.01 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.2 t -135.47 100.54 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.9 t -59.27 115.08 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.986 . . . . . . . . 0 0 . 1 stop_ save_